N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C16H15N7O — CID 71139067

IUPACN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3n[nH]c(C4CC4)n3)c3[nH]ncc3c2c1
InChIInChI=1S/C16H15N7O/c1-24-9-4-5-12-10(6-9)11-7-17-21-13(11)15(18-12)20-16-19-14(22-23-16)8-2-3-8/h4-8H,2-3H2,1H3,(H,17,21)(H2,18,19,20,22,23)
InChIKeyNSBAYRPCLLJVNZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.86
Rot. Bonds4

About N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 71139067) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID71139067
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3n[nH]c(C4CC4)n3)c3[nH]ncc3c2c1
InChIInChI=1S/C16H15N7O/c1-24-9-4-5-12-10(6-9)11-7-17-21-13(11)15(18-12)20-16-19-14(22-23-16)8-2-3-8/h4-8H,2-3H2,1H3,(H,17,21)(H2,18,19,20,22,23)
InChIKeyNSBAYRPCLLJVNZ-UHFFFAOYSA-N
XLogP2.86
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 71139067) is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc2nc(Nc3n[nH]c(C4CC4)n3)c3[nH]ncc3c2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is NSBAYRPCLLJVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-24-9-4-5-12-10(6-9)11-7-17-21-13(11)15(18-12)20-16-19-14(22-23-16)8-2-3-8/h4-8H,2-3H2,1H3,(H,17,21)(H2,18,19,20,22,23).
What are the key properties of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 71139067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).