4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide

C9H11N5O — CID 114387739

IUPAC4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2nccnn2)C1
InChIInChI=1S/C9H11N5O/c10-7-2-1-6(5-7)8(15)13-9-11-3-4-12-14-9/h1-4,6-7H,5,10H2,(H,11,13,14,15)
InChIKeyMVNYMHYJQWLVSF-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.29
Rot. Bonds2

About 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 114387739) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide
PubChem CID114387739
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2nccnn2)C1
InChIInChI=1S/C9H11N5O/c10-7-2-1-6(5-7)8(15)13-9-11-3-4-12-14-9/h1-4,6-7H,5,10H2,(H,11,13,14,15)
InChIKeyMVNYMHYJQWLVSF-UHFFFAOYSA-N
XLogP-0.29
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride
CID 142435601
4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79211315
5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
CID 114388995
4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide
CID 116786888
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 102805596
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79211350
N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 114387742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide (CID 114387739) is 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2nccnn2)C1.
What is the InChIKey of 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is MVNYMHYJQWLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-7-2-1-6(5-7)8(15)13-9-11-3-4-12-14-9/h1-4,6-7H,5,10H2,(H,11,13,14,15).
What are the key properties of 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 205.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 114387739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).