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

C8H14N4O — CID 42947749

IUPACN-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C8H14N4O/c1-6(2)11-8(13)7(3)12-5-9-4-10-12/h4-7H,1-3H3,(H,11,13)
InChIKeyFMFCFLWJIXWTQQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.36
Rot. Bonds3

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

N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42947749) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42947749
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C8H14N4O/c1-6(2)11-8(13)7(3)12-5-9-4-10-12/h4-7H,1-3H3,(H,11,13)
InChIKeyFMFCFLWJIXWTQQ-UHFFFAOYSA-N
XLogP0.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 1519141
N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3104818
2-(3-Nitro-[1,2,4]triazol-1-yl)-N-propyl-acetamide
CID 3104817
(2-Propionylamino-3-[1,2,4]triazol-1-yl-propyl)-phosphonic acid
CID 44305368
N-cyclopentyl-2-(tetrazol-1-yl)acetamide
CID 39891812
[2-(Methylaminooxalyl-amino)-3-[1,2,4]triazol-1-yl-propyl]-phosphonic acid
CID 44305058
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 47029800
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
1-(4-Acetyl-1,4-diazepan-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53517310
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 42947749) is N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide is CC(C)NC(=O)C(C)n1cncn1.
What is the InChIKey of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FMFCFLWJIXWTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(2)11-8(13)7(3)12-5-9-4-10-12/h4-7H,1-3H3,(H,11,13).
What are the key properties of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42947749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).