3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine

C16H16ClN7 — CID 56790399

IUPAC3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1nn2c(nc(NCCc3nncn3C)c3ccccc32)c1Cl
InChIInChI=1S/C16H16ClN7/c1-10-14(17)16-20-15(18-8-7-13-21-19-9-23(13)2)11-5-3-4-6-12(11)24(16)22-10/h3-6,9H,7-8H2,1-2H3,(H,18,20)
InChIKeyQDYLRQRSTFQNGD-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.63
Rot. Bonds4

About 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine

3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 56790399) has the molecular formula C16H16ClN7 and a molecular weight of 341.81 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID56790399
Molecular FormulaC16H16ClN7
Molecular Weight341.81 g/mol
Exact Mass341.12
IUPAC Name3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1nn2c(nc(NCCc3nncn3C)c3ccccc32)c1Cl
InChIInChI=1S/C16H16ClN7/c1-10-14(17)16-20-15(18-8-7-13-21-19-9-23(13)2)11-5-3-4-6-12(11)24(16)22-10/h3-6,9H,7-8H2,1-2H3,(H,18,20)
InChIKeyQDYLRQRSTFQNGD-UHFFFAOYSA-N
XLogP2.63
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 56790399) is 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine is Cc1nn2c(nc(NCCc3nncn3C)c3ccccc32)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is QDYLRQRSTFQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7/c1-10-14(17)16-20-15(18-8-7-13-21-19-9-23(13)2)11-5-3-4-6-12(11)24(16)22-10/h3-6,9H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 341.81 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 56790399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).