N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

C9H16N4O — CID 60729141

IUPACN-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CNC(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O/c1-7(2)4-11-9(14)8(3)13-6-10-5-12-13/h5-8H,4H2,1-3H3,(H,11,14)
InChIKeyQWVFMFJLZDMMCF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.61
Rot. Bonds4

About N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60729141) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID60729141
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CNC(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O/c1-7(2)4-11-9(14)8(3)13-6-10-5-12-13/h5-8H,4H2,1-3H3,(H,11,14)
InChIKeyQWVFMFJLZDMMCF-UHFFFAOYSA-N
XLogP0.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 94069814
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43210967
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
2-(1,2,4-triazol-1-yl)propanoic acid
CID 16785201
(3S)-3-(1,2,4-triazol-1-yl)butan-2-one
CID 1486533
N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 65115000

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 60729141) is N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C)CNC(=O)C(C)n1cncn1.
What is the InChIKey of N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is QWVFMFJLZDMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)4-11-9(14)8(3)13-6-10-5-12-13/h5-8H,4H2,1-3H3,(H,11,14).
What are the key properties of N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60729141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).