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

C6H8N4O — CID 60977964

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H8N4O/c1-2-6(11)7-3-5-8-4-9-10-5/h2,4H,1,3H2,(H,7,11)(H,8,9,10)
InChIKeyIVFZWFVYWJVYOT-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.39
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide (PubChem CID 60977964) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
PubChem CID60977964
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H8N4O/c1-2-6(11)7-3-5-8-4-9-10-5/h2,4H,1,3H2,(H,7,11)(H,8,9,10)
InChIKeyIVFZWFVYWJVYOT-UHFFFAOYSA-N
XLogP-0.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide (CID 60977964) is N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide is C=CC(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
The InChIKey is IVFZWFVYWJVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-6(11)7-3-5-8-4-9-10-5/h2,4H,1,3H2,(H,7,11)(H,8,9,10).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide has a molecular weight of 152.16 g/mol, XLogP of -0.39, 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)prop-2-enamide is sourced from PubChem (CID 60977964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).