4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide

C11H12N6O — CID 114386710

IUPAC4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2nccnn2)n(C2CC2)c1
InChIInChI=1S/C11H12N6O/c12-7-5-9(17(6-7)8-1-2-8)10(18)15-11-13-3-4-14-16-11/h3-6,8H,1-2,12H2,(H,13,15,16,18)
InChIKeyAZOCWYVMORJHNT-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.84
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide (PubChem CID 114386710) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide
PubChem CID114386710
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2nccnn2)n(C2CC2)c1
InChIInChI=1S/C11H12N6O/c12-7-5-9(17(6-7)8-1-2-8)10(18)15-11-13-3-4-14-16-11/h3-6,8H,1-2,12H2,(H,13,15,16,18)
InChIKeyAZOCWYVMORJHNT-UHFFFAOYSA-N
XLogP0.84
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide (CID 114386710) is 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide is Nc1cc(C(=O)Nc2nccnn2)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide?
The InChIKey is AZOCWYVMORJHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-7-5-9(17(6-7)8-1-2-8)10(18)15-11-13-3-4-14-16-11/h3-6,8H,1-2,12H2,(H,13,15,16,18).
What are the key properties of 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide has a molecular weight of 244.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114386710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).