N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

C18H27N7 — CID 71928277

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN2CCC(N(C)Cc3nnc(C4CC4)n3C)C2)cn1
InChIInChI=1S/C18H27N7/c1-13-8-20-15(9-19-13)10-25-7-6-16(11-25)23(2)12-17-21-22-18(24(17)3)14-4-5-14/h8-9,14,16H,4-7,10-12H2,1-3H3
InChIKeyBSZOOCIDVBLKSE-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.50
Rot. Bonds6

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928277) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928277
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN2CCC(N(C)Cc3nnc(C4CC4)n3C)C2)cn1
InChIInChI=1S/C18H27N7/c1-13-8-20-15(9-19-13)10-25-7-6-16(11-25)23(2)12-17-21-22-18(24(17)3)14-4-5-14/h8-9,14,16H,4-7,10-12H2,1-3H3
InChIKeyBSZOOCIDVBLKSE-UHFFFAOYSA-N
XLogP1.50
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

({4-cyclopropyl-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine
CID 70756516
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928249
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 164636550
7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 127428121
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)pyrazine
CID 18726597
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
3,4-Ditert-butyl-5-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 89548930
1-[[1-(2-Methylpropyl)imidazol-4-yl]methyl]-4-[[1-(2-methylpropyl)triazol-4-yl]methyl]piperazine
CID 89842579
2-(5-Tert-butyl-2-methyl-1,2,4-triazol-3-yl)-1-ethylpyrazin-1-ium
CID 123737501
2-(5-Tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine
CID 129175055
3-[5-[cyclopropyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]-N'-(3,6-dimethylpyrazin-2-yl)propanimidamide
CID 132095333

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (CID 71928277) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is Cc1cnc(CN2CCC(N(C)Cc3nnc(C4CC4)n3C)C2)cn1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is BSZOOCIDVBLKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-13-8-20-15(9-19-13)10-25-7-6-16(11-25)23(2)12-17-21-22-18(24(17)3)14-4-5-14/h8-9,14,16H,4-7,10-12H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 341.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).