7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C14H9ClN6 — CID 43327138

IUPAC7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3cnn(-c4ccccc4)c3)n2cn1
InChIInChI=1S/C14H9ClN6/c15-12-6-13-18-19-14(20(13)9-16-12)10-7-17-21(8-10)11-4-2-1-3-5-11/h1-9H
InChIKeyZONDPIUPGSCRFU-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.63
Rot. Bonds2

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

7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43327138) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43327138
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3cnn(-c4ccccc4)c3)n2cn1
InChIInChI=1S/C14H9ClN6/c15-12-6-13-18-19-14(20(13)9-16-12)10-7-17-21(8-10)11-4-2-1-3-5-11/h1-9H
InChIKeyZONDPIUPGSCRFU-UHFFFAOYSA-N
XLogP2.63
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144489
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
CID 113301248
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 104615353
3-(2-chlorophenyl)-6-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535221
7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923
3-(7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 82167018
3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
CID 55113247

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43327138) is 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(-c3cnn(-c4ccccc4)c3)n2cn1.
What is the InChIKey of 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is ZONDPIUPGSCRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c15-12-6-13-18-19-14(20(13)9-16-12)10-7-17-21(8-10)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 296.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43327138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).