N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide

C5H6N4O — CID 55286478

IUPACN-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide
SMILESO=CN/C=C\c1ncn[nH]1
InChIInChI=1S/C5H6N4O/c10-4-6-2-1-5-7-3-8-9-5/h1-4H,(H,6,10)(H,7,8,9)/b2-1-
InChIKeyRNUOMUHQAYQNCS-UPHRSURJSA-N
MW138.13 g/mol
LogP-0.48
Rot. Bonds3

About N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide

N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide (PubChem CID 55286478) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide
PubChem CID55286478
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC NameN-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide
SMILESO=CN/C=C\c1ncn[nH]1
InChIInChI=1S/C5H6N4O/c10-4-6-2-1-5-7-3-8-9-5/h1-4H,(H,6,10)(H,7,8,9)/b2-1-
InChIKeyRNUOMUHQAYQNCS-UPHRSURJSA-N
XLogP-0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide?
The IUPAC name of N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide (CID 55286478) is N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide.
What is the SMILES notation for N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide?
The canonical SMILES for N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide is O=CN/C=C\c1ncn[nH]1.
What is the InChIKey of N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide?
The InChIKey is RNUOMUHQAYQNCS-UPHRSURJSA-N. The full InChI is InChI=1S/C5H6N4O/c10-4-6-2-1-5-7-3-8-9-5/h1-4H,(H,6,10)(H,7,8,9)/b2-1-.
What are the key properties of N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide?
N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide has a molecular weight of 138.13 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(1H-1,2,4-triazol-5-yl)ethenyl]formamide is sourced from PubChem (CID 55286478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).