4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide

C9H17N5O — CID 14852979

IUPAC4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCNc1nnc(C(=O)NCC(C)C)n1C
InChIInChI=1S/C9H17N5O/c1-6(2)5-11-8(15)7-12-13-9(10-3)14(7)4/h6H,5H2,1-4H3,(H,10,13)(H,11,15)
InChIKeyYDMJAOSZIQPWER-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.24
Rot. Bonds4

About 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide

4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 14852979) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
PubChem CID14852979
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCNc1nnc(C(=O)NCC(C)C)n1C
InChIInChI=1S/C9H17N5O/c1-6(2)5-11-8(15)7-12-13-9(10-3)14(7)4/h6H,5H2,1-4H3,(H,10,13)(H,11,15)
InChIKeyYDMJAOSZIQPWER-UHFFFAOYSA-N
XLogP0.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 128603890
N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
CID 14772881
N-hexyl-4-methyl-1,2,4-triazole-3-carboxamide
CID 162398243
N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
CID 162398462
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47284794
2,5-dimethyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 100614680
2,5-dimethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 100614695
2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 119036948
3,3,3-trifluoro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 132379309
N-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide
CID 72150609
7-acetyl-N-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 132470772
5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
CID 14772863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide (CID 14852979) is 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide is CNc1nnc(C(=O)NCC(C)C)n1C.
What is the InChIKey of 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is YDMJAOSZIQPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(2)5-11-8(15)7-12-13-9(10-3)14(7)4/h6H,5H2,1-4H3,(H,10,13)(H,11,15).
What are the key properties of 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14852979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).