methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride

C19H27ClN6O3 — CID 120823591

IUPACmethyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)c1C.Cl
InChIInChI=1S/C19H26N6O3.ClH/c1-11-15(19(27)28-3)12(2)21-16(11)18(26)24-7-4-13(5-8-24)17-23-22-14-10-20-6-9-25(14)17;/h13,20-21H,4-10H2,1-3H3;1H
InChIKeyDBZNZZZIDSOMFS-UHFFFAOYSA-N
MW422.92 g/mol
LogP1.55
Rot. Bonds3

About methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride

methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride (PubChem CID 120823591) has the molecular formula C19H27ClN6O3 and a molecular weight of 422.92 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride
PubChem CID120823591
Molecular FormulaC19H27ClN6O3
Molecular Weight422.92 g/mol
Exact Mass422.18
IUPAC Namemethyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)c1C.Cl
InChIInChI=1S/C19H26N6O3.ClH/c1-11-15(19(27)28-3)12(2)21-16(11)18(26)24-7-4-13(5-8-24)17-23-22-14-10-20-6-9-25(14)17;/h13,20-21H,4-10H2,1-3H3;1H
InChIKeyDBZNZZZIDSOMFS-UHFFFAOYSA-N
XLogP1.55
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride with MolForge

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823969
methyl 4-[3-oxo-3-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propyl]benzoate;hydrochloride
CID 120823653
(5-bromo-3-methylfuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824231
2-(5-methylthiophen-2-yl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120833417
2-(3-methoxy-4-methylphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120823703
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823495
(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120833344
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120824006
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]butan-1-one
CID 120823255
6-propan-2-yl-4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 120823072
(2-methyl-5-methylsulfanylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824065
methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride
CID 120826430

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride (CID 120823591) is methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride is COC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)c1C.Cl.
What is the InChIKey of methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride?
The InChIKey is DBZNZZZIDSOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3.ClH/c1-11-15(19(27)28-3)12(2)21-16(11)18(26)24-7-4-13(5-8-24)17-23-22-14-10-20-6-9-25(14)17;/h13,20-21H,4-10H2,1-3H3;1H.
What are the key properties of methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride?
methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride has a molecular weight of 422.92 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate;hydrochloride is sourced from PubChem (CID 120823591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).