5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14ClN7 — CID 103076363

IUPAC5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC(C)Cn1cccn1
InChIInChI=1S/C12H14ClN7/c1-8(6-19-5-3-4-15-19)17-11-9(2)10(13)18-12-14-7-16-20(11)12/h3-5,7-8,17H,6H2,1-2H3
InChIKeyCNMBQPQTDFTYAQ-UHFFFAOYSA-N
MW291.75 g/mol
LogP1.78
Rot. Bonds4

About 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076363) has the molecular formula C12H14ClN7 and a molecular weight of 291.75 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076363
Molecular FormulaC12H14ClN7
Molecular Weight291.75 g/mol
Exact Mass291.10
IUPAC Name5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC(C)Cn1cccn1
InChIInChI=1S/C12H14ClN7/c1-8(6-19-5-3-4-15-19)17-11-9(2)10(13)18-12-14-7-16-20(11)12/h3-5,7-8,17H,6H2,1-2H3
InChIKeyCNMBQPQTDFTYAQ-UHFFFAOYSA-N
XLogP1.78
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 103076867
5-chloro-6-methyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076376
5-chloro-N-hex-5-yn-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106195677
5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114168058
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 103076387
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethyl-N-methylpropanamide
CID 103112984
N-butan-2-yl-5-chloro-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87827871
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-ethylbutan-1-ol
CID 103076571
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352632
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076363) is 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NC(C)Cn1cccn1.
What is the InChIKey of 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CNMBQPQTDFTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN7/c1-8(6-19-5-3-4-15-19)17-11-9(2)10(13)18-12-14-7-16-20(11)12/h3-5,7-8,17H,6H2,1-2H3.
What are the key properties of 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.75 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).