3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C17H16ClN7 — CID 17469532

IUPAC3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1nn2c(nc(NCc3nnc4n3CCC4)c3ccccc32)c1Cl
InChIInChI=1S/C17H16ClN7/c1-10-15(18)17-20-16(11-5-2-3-6-12(11)25(17)23-10)19-9-14-22-21-13-7-4-8-24(13)14/h2-3,5-6H,4,7-9H2,1H3,(H,19,20)
InChIKeyBOQLMZQOTPAFTF-UHFFFAOYSA-N
MW353.82 g/mol
LogP2.99
Rot. Bonds3

About 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine

3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 17469532) has the molecular formula C17H16ClN7 and a molecular weight of 353.82 g/mol. Its IUPAC name is 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID17469532
Molecular FormulaC17H16ClN7
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1nn2c(nc(NCc3nnc4n3CCC4)c3ccccc32)c1Cl
InChIInChI=1S/C17H16ClN7/c1-10-15(18)17-20-16(11-5-2-3-6-12(11)25(17)23-10)19-9-14-22-21-13-7-4-8-24(13)14/h2-3,5-6H,4,7-9H2,1H3,(H,19,20)
InChIKeyBOQLMZQOTPAFTF-UHFFFAOYSA-N
XLogP2.99
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 17469532) is 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1nn2c(nc(NCc3nnc4n3CCC4)c3ccccc32)c1Cl.
What is the InChIKey of 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is BOQLMZQOTPAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7/c1-10-15(18)17-20-16(11-5-2-3-6-12(11)25(17)23-10)19-9-14-22-21-13-7-4-8-24(13)14/h2-3,5-6H,4,7-9H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 353.82 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 17469532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).