7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C16H11ClN4 — CID 43327092

IUPAC7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(Cc3ccc4ccccc4c3)n2cn1
InChIInChI=1S/C16H11ClN4/c17-14-9-16-20-19-15(21(16)10-18-14)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10H,8H2
InChIKeyWMNMIHAAFNEIEA-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.52
Rot. Bonds2

About 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43327092) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43327092
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(Cc3ccc4ccccc4c3)n2cn1
InChIInChI=1S/C16H11ClN4/c17-14-9-16-20-19-15(21(16)10-18-14)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10H,8H2
InChIKeyWMNMIHAAFNEIEA-UHFFFAOYSA-N
XLogP3.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327082
7-chloro-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327133
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144417
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
N,4-dimethyl-5-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-amine
CID 112596426
2-benzylnaphthalene
CID 11948
7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103020834
7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103208762
7-chloro-3-[(3,4-dichlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425914
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43327092) is 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(Cc3ccc4ccccc4c3)n2cn1.
What is the InChIKey of 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is WMNMIHAAFNEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-14-9-16-20-19-15(21(16)10-18-14)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10H,8H2.
What are the key properties of 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 294.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43327092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).