N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide

C5H8N4O — CID 91137894

IUPACN-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide
SMILESCCN(C=O)c1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-2-9(4-10)5-6-3-7-8-5/h3-4H,2H2,1H3,(H,6,7,8)
InChIKeyKAPGKPWTRPLSSL-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.21
Rot. Bonds3

About N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide

N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide (PubChem CID 91137894) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide
PubChem CID91137894
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide
SMILESCCN(C=O)c1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-2-9(4-10)5-6-3-7-8-5/h3-4H,2H2,1H3,(H,6,7,8)
InChIKeyKAPGKPWTRPLSSL-UHFFFAOYSA-N
XLogP-0.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide?
The IUPAC name of N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide (CID 91137894) is N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide.
What is the SMILES notation for N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide?
The canonical SMILES for N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide is CCN(C=O)c1ncn[nH]1.
What is the InChIKey of N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide?
The InChIKey is KAPGKPWTRPLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-9(4-10)5-6-3-7-8-5/h3-4H,2H2,1H3,(H,6,7,8).
What are the key properties of N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide?
N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide has a molecular weight of 140.15 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide is sourced from PubChem (CID 91137894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).