N-prop-2-enyl-1,3,5-triazine-2-carboxamide

C7H8N4O — CID 90391706

IUPACN-prop-2-enyl-1,3,5-triazine-2-carboxamide
SMILESC=CCNC(=O)c1ncncn1
InChIInChI=1S/C7H8N4O/c1-2-3-9-7(12)6-10-4-8-5-11-6/h2,4-5H,1,3H2,(H,9,12)
InChIKeyADQQIJUGYFRPNO-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.21
Rot. Bonds3

About N-prop-2-enyl-1,3,5-triazine-2-carboxamide

N-prop-2-enyl-1,3,5-triazine-2-carboxamide (PubChem CID 90391706) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is N-prop-2-enyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1,3,5-triazine-2-carboxamide
PubChem CID90391706
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC NameN-prop-2-enyl-1,3,5-triazine-2-carboxamide
SMILESC=CCNC(=O)c1ncncn1
InChIInChI=1S/C7H8N4O/c1-2-3-9-7(12)6-10-4-8-5-11-6/h2,4-5H,1,3H2,(H,9,12)
InChIKeyADQQIJUGYFRPNO-UHFFFAOYSA-N
XLogP-0.21
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-prop-2-enyl-1,3,5-triazine-2-carboxamide (CID 90391706) is N-prop-2-enyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-1,3,5-triazine-2-carboxamide is C=CCNC(=O)c1ncncn1.
What is the InChIKey of N-prop-2-enyl-1,3,5-triazine-2-carboxamide?
The InChIKey is ADQQIJUGYFRPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-3-9-7(12)6-10-4-8-5-11-6/h2,4-5H,1,3H2,(H,9,12).
What are the key properties of N-prop-2-enyl-1,3,5-triazine-2-carboxamide?
N-prop-2-enyl-1,3,5-triazine-2-carboxamide has a molecular weight of 164.17 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 90391706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).