N-[2-(1,2,4-triazol-1-yl)ethyl]formamide

C5H8N4O — CID 131047995

IUPACN-[2-(1,2,4-triazol-1-yl)ethyl]formamide
SMILESO=CNCCn1cncn1
InChIInChI=1S/C5H8N4O/c10-5-6-1-2-9-4-7-3-8-9/h3-5H,1-2H2,(H,6,10)
InChIKeyVUBSHDMSIXIEPC-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.98
Rot. Bonds4

About N-[2-(1,2,4-triazol-1-yl)ethyl]formamide

N-[2-(1,2,4-triazol-1-yl)ethyl]formamide (PubChem CID 131047995) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)ethyl]formamide
PubChem CID131047995
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-[2-(1,2,4-triazol-1-yl)ethyl]formamide
SMILESO=CNCCn1cncn1
InChIInChI=1S/C5H8N4O/c10-5-6-1-2-9-4-7-3-8-9/h3-5H,1-2H2,(H,6,10)
InChIKeyVUBSHDMSIXIEPC-UHFFFAOYSA-N
XLogP-0.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]formamide (CID 131047995) is N-[2-(1,2,4-triazol-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)ethyl]formamide is O=CNCCn1cncn1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)ethyl]formamide?
The InChIKey is VUBSHDMSIXIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c10-5-6-1-2-9-4-7-3-8-9/h3-5H,1-2H2,(H,6,10).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)ethyl]formamide?
N-[2-(1,2,4-triazol-1-yl)ethyl]formamide has a molecular weight of 140.15 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)ethyl]formamide is sourced from PubChem (CID 131047995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).