3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

C18H30ClN7 — CID 120826172

IUPAC3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCC(C)Cn1cc(CN2CCC(c3nnc4n3CCNC4)CC2)cn1.Cl
InChIInChI=1S/C18H29N7.ClH/c1-14(2)11-24-13-15(9-20-24)12-23-6-3-16(4-7-23)18-22-21-17-10-19-5-8-25(17)18;/h9,13-14,16,19H,3-8,10-12H2,1-2H3;1H
InChIKeyFDATYMNOGHVZKV-UHFFFAOYSA-N
MW379.94 g/mol
LogP2.04
Rot. Bonds5

About 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 120826172) has the molecular formula C18H30ClN7 and a molecular weight of 379.94 g/mol. Its IUPAC name is 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID120826172
Molecular FormulaC18H30ClN7
Molecular Weight379.94 g/mol
Exact Mass379.23
IUPAC Name3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCC(C)Cn1cc(CN2CCC(c3nnc4n3CCNC4)CC2)cn1.Cl
InChIInChI=1S/C18H29N7.ClH/c1-14(2)11-24-13-15(9-20-24)12-23-6-3-16(4-7-23)18-22-21-17-10-19-5-8-25(17)18;/h9,13-14,16,19H,3-8,10-12H2,1-2H3;1H
InChIKeyFDATYMNOGHVZKV-UHFFFAOYSA-N
XLogP2.04
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.94
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride with MolForge

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Related Compounds

3-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826231
3-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826182
2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 120825995
3-[1-[(3-bromo-4-methylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826218
3-[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120825709
3-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826052
3-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826282
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826315
3-[1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826041
3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 73439810
3-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825915
2-cyclopentyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120825896

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 120826172) is 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is CC(C)Cn1cc(CN2CCC(c3nnc4n3CCNC4)CC2)cn1.Cl.
What is the InChIKey of 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is FDATYMNOGHVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7.ClH/c1-14(2)11-24-13-15(9-20-24)12-23-6-3-16(4-7-23)18-22-21-17-10-19-5-8-25(17)18;/h9,13-14,16,19H,3-8,10-12H2,1-2H3;1H.
What are the key properties of 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 379.94 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 120826172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).