N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide

C6H10N4O2 — CID 131154168

IUPACN-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1n[nH]c(CO)n1
InChIInChI=1S/C6H10N4O2/c1-2-5(12)8-6-7-4(3-11)9-10-6/h11H,2-3H2,1H3,(H2,7,8,9,10,12)
InChIKeyLQCZNQBXKDNVEA-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.35
Rot. Bonds3

About N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide

N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 131154168) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID131154168
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1n[nH]c(CO)n1
InChIInChI=1S/C6H10N4O2/c1-2-5(12)8-6-7-4(3-11)9-10-6/h11H,2-3H2,1H3,(H2,7,8,9,10,12)
InChIKeyLQCZNQBXKDNVEA-UHFFFAOYSA-N
XLogP-0.35
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 131154168) is N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide is CCC(=O)Nc1n[nH]c(CO)n1.
What is the InChIKey of N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is LQCZNQBXKDNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-5(12)8-6-7-4(3-11)9-10-6/h11H,2-3H2,1H3,(H2,7,8,9,10,12).
What are the key properties of N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide?
N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 170.17 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 131154168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).