N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C6H10N4O — CID 60981847

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-2-6(11)7-3-5-8-4-9-10-5/h4H,2-3H2,1H3,(H,7,11)(H,8,9,10)
InChIKeyUXLJYSZINNAHOS-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.17
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 60981847) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID60981847
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-2-6(11)7-3-5-8-4-9-10-5/h4H,2-3H2,1H3,(H,7,11)(H,8,9,10)
InChIKeyUXLJYSZINNAHOS-UHFFFAOYSA-N
XLogP-0.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 60981847) is N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CCC(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is UXLJYSZINNAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-6(11)7-3-5-8-4-9-10-5/h4H,2-3H2,1H3,(H,7,11)(H,8,9,10).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 154.17 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 60981847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).