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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Related Compounds

US9586948, Example 2
CID 117872321
5,7-dimethyl-N-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982736
1-Methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide
CID 70691585
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-3-carboxamide
CID 156021149
N-(pyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 66939548
USRE48711, Example 199
CID 49869240
USRE48711, Example 188
CID 58103036
US10155765, Example 60
CID 122515239
US9649308, Example 58
CID 122515255
2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
CID 156890105
2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 170774143
N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774157

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).