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

C10H18N4O — CID 60729091

IUPACN-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H18N4O/c1-4-5-8(2)13-10(15)9(3)14-7-11-6-12-14/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyKRWOYNBUCSTFMG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.14
Rot. Bonds5

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

N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60729091) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID60729091
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H18N4O/c1-4-5-8(2)13-10(15)9(3)14-7-11-6-12-14/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyKRWOYNBUCSTFMG-UHFFFAOYSA-N
XLogP1.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 115661997
ethyl 2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoate
CID 54960602
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
(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
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129358962
4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43210967

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 60729091) is N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide is CCCC(C)NC(=O)C(C)n1cncn1.
What is the InChIKey of N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KRWOYNBUCSTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-5-8(2)13-10(15)9(3)14-7-11-6-12-14/h6-9H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60729091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).