N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

C15H15N7O2 — CID 112527934

IUPACN-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESNc1nn(C(=O)Cn2cc(NC(=O)C3CC3)nn2)c2ccccc12
InChIInChI=1S/C15H15N7O2/c16-14-10-3-1-2-4-11(10)22(19-14)13(23)8-21-7-12(18-20-21)17-15(24)9-5-6-9/h1-4,7,9H,5-6,8H2,(H2,16,19)(H,17,24)
InChIKeyGEVPOKFVOWIKOO-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.90
Rot. Bonds4

About N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112527934) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112527934
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESNc1nn(C(=O)Cn2cc(NC(=O)C3CC3)nn2)c2ccccc12
InChIInChI=1S/C15H15N7O2/c16-14-10-3-1-2-4-11(10)22(19-14)13(23)8-21-7-12(18-20-21)17-15(24)9-5-6-9/h1-4,7,9H,5-6,8H2,(H2,16,19)(H,17,24)
InChIKeyGEVPOKFVOWIKOO-UHFFFAOYSA-N
XLogP0.90
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112527934) is N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is Nc1nn(C(=O)Cn2cc(NC(=O)C3CC3)nn2)c2ccccc12.
What is the InChIKey of N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is GEVPOKFVOWIKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c16-14-10-3-1-2-4-11(10)22(19-14)13(23)8-21-7-12(18-20-21)17-15(24)9-5-6-9/h1-4,7,9H,5-6,8H2,(H2,16,19)(H,17,24).
What are the key properties of N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112527934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).