1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide

C9H9N5O — CID 114387955

IUPAC1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nccnn2)CCC1
InChIInChI=1S/C9H9N5O/c10-6-9(2-1-3-9)7(15)13-8-11-4-5-12-14-8/h4-5H,1-3H2,(H,11,13,14,15)
InChIKeyJWRIFIBCEUXWQS-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.50
Rot. Bonds2

About 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide

1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide (PubChem CID 114387955) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide
PubChem CID114387955
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nccnn2)CCC1
InChIInChI=1S/C9H9N5O/c10-6-9(2-1-3-9)7(15)13-8-11-4-5-12-14-8/h4-5H,1-3H2,(H,11,13,14,15)
InChIKeyJWRIFIBCEUXWQS-UHFFFAOYSA-N
XLogP0.50
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide (CID 114387955) is 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide is N#CC1(C(=O)Nc2nccnn2)CCC1.
What is the InChIKey of 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is JWRIFIBCEUXWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-6-9(2-1-3-9)7(15)13-8-11-4-5-12-14-8/h4-5H,1-3H2,(H,11,13,14,15).
What are the key properties of 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide?
1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114387955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).