5-chloro-3-phenyltriazolo[4,5-d]pyrimidine

C10H6ClN5 — CID 14006342

IUPAC5-chloro-3-phenyltriazolo[4,5-d]pyrimidine
SMILESClc1ncc2nnn(-c3ccccc3)c2n1
InChIInChI=1S/C10H6ClN5/c11-10-12-6-8-9(13-10)16(15-14-8)7-4-2-1-3-5-7/h1-6H
InChIKeyNKIVLXGSBRGGMK-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.86
Rot. Bonds1

About 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine

5-chloro-3-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 14006342) has the molecular formula C10H6ClN5 and a molecular weight of 231.65 g/mol. Its IUPAC name is 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-3-phenyltriazolo[4,5-d]pyrimidine
PubChem CID14006342
Molecular FormulaC10H6ClN5
Molecular Weight231.65 g/mol
Exact Mass231.03
IUPAC Name5-chloro-3-phenyltriazolo[4,5-d]pyrimidine
SMILESClc1ncc2nnn(-c3ccccc3)c2n1
InChIInChI=1S/C10H6ClN5/c11-10-12-6-8-9(13-10)16(15-14-8)7-4-2-1-3-5-7/h1-6H
InChIKeyNKIVLXGSBRGGMK-UHFFFAOYSA-N
XLogP1.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Glu-P 2
CID 49970
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
N-purin-6-ylaniline
CID 71029
1-methyl-1H-imidazo(4,5-c)pyridine
CID 12299352
1H-1,2,3-Triazolo(4,5-b)pyridine
CID 136085
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine (CID 14006342) is 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine is Clc1ncc2nnn(-c3ccccc3)c2n1.
What is the InChIKey of 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is NKIVLXGSBRGGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5/c11-10-12-6-8-9(13-10)16(15-14-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine?
5-chloro-3-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 231.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 14006342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).