7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C15H9ClN4 — CID 43327135

IUPAC7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3cccc4ccccc34)n2cn1
InChIInChI=1S/C15H9ClN4/c16-13-8-14-18-19-15(20(14)9-17-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyITOLRTPXUWJMFY-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.60
Rot. Bonds1

About 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43327135) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43327135
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3cccc4ccccc34)n2cn1
InChIInChI=1S/C15H9ClN4/c16-13-8-14-18-19-15(20(14)9-17-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyITOLRTPXUWJMFY-UHFFFAOYSA-N
XLogP3.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 104615353
7-chloro-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327133
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923
7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327092
7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327138
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 66120938
5-naphthalen-1-yl-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136493
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43327135) is 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(-c3cccc4ccccc34)n2cn1.
What is the InChIKey of 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is ITOLRTPXUWJMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-13-8-14-18-19-15(20(14)9-17-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H.
What are the key properties of 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 280.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43327135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).