4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile

C14H11ClN6 — CID 103076555

IUPAC4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile
SMILESCc1c(Cl)nc2ncnn2c1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN6/c1-9-12(15)20-14-18-8-19-21(14)13(9)17-7-11-4-2-10(6-16)3-5-11/h2-5,8,17H,7H2,1H3
InChIKeyUUHHVNIXXWSRHM-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.57
Rot. Bonds3

About 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile

4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile (PubChem CID 103076555) has the molecular formula C14H11ClN6 and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile
PubChem CID103076555
Molecular FormulaC14H11ClN6
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile
SMILESCc1c(Cl)nc2ncnn2c1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN6/c1-9-12(15)20-14-18-8-19-21(14)13(9)17-7-11-4-2-10(6-16)3-5-11/h2-5,8,17H,7H2,1H3
InChIKeyUUHHVNIXXWSRHM-UHFFFAOYSA-N
XLogP2.57
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(4-ethylphenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106900563
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106038078
5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114128814
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076767
5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076653
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076873
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076779
3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 103076747

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile (CID 103076555) is 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile is Cc1c(Cl)nc2ncnn2c1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile?
The InChIKey is UUHHVNIXXWSRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6/c1-9-12(15)20-14-18-8-19-21(14)13(9)17-7-11-4-2-10(6-16)3-5-11/h2-5,8,17H,7H2,1H3.
What are the key properties of 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile?
4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile has a molecular weight of 298.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 103076555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).