3-methyl-N-propyltriazole-4-carboxamide

C7H12N4O — CID 130733384

IUPAC3-methyl-N-propyltriazole-4-carboxamide
SMILESCCCNC(=O)c1cnnn1C
InChIInChI=1S/C7H12N4O/c1-3-4-8-7(12)6-5-9-10-11(6)2/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyJJPDVAVSDKUAKN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.05
Rot. Bonds3

About 3-methyl-N-propyltriazole-4-carboxamide

3-methyl-N-propyltriazole-4-carboxamide (PubChem CID 130733384) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methyl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propyltriazole-4-carboxamide
PubChem CID130733384
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-methyl-N-propyltriazole-4-carboxamide
SMILESCCCNC(=O)c1cnnn1C
InChIInChI=1S/C7H12N4O/c1-3-4-8-7(12)6-5-9-10-11(6)2/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyJJPDVAVSDKUAKN-UHFFFAOYSA-N
XLogP-0.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide
CID 130660783
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
CID 168679993
1-(3-methyltriazol-4-yl)dodecan-1-one
CID 115806821
1-(3-methyltriazol-4-yl)-2-propylsulfanylethanone
CID 114685850
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide
CID 156823683
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
2-hydroxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-one
CID 103446695
N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide
CID 167766162
N-(2-ethylsulfanylethyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 70733343
3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide
CID 175923694

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyltriazole-4-carboxamide?
The IUPAC name of 3-methyl-N-propyltriazole-4-carboxamide (CID 130733384) is 3-methyl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-propyltriazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-propyltriazole-4-carboxamide is CCCNC(=O)c1cnnn1C.
What is the InChIKey of 3-methyl-N-propyltriazole-4-carboxamide?
The InChIKey is JJPDVAVSDKUAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-4-8-7(12)6-5-9-10-11(6)2/h5H,3-4H2,1-2H3,(H,8,12).
What are the key properties of 3-methyl-N-propyltriazole-4-carboxamide?
3-methyl-N-propyltriazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 130733384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).