5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H24ClN5 — CID 103076778

IUPAC5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(CC)N(CC(C)C)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C15H24ClN5/c1-6-12(7-2)20(8-10(3)4)14-11(5)13(16)19-15-17-9-18-21(14)15/h9-10,12H,6-8H2,1-5H3
InChIKeyUOAVWSKQPAEDGY-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.74
Rot. Bonds6

About 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076778) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076778
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(CC)N(CC(C)C)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C15H24ClN5/c1-6-12(7-2)20(8-10(3)4)14-11(5)13(16)19-15-17-9-18-21(14)15/h9-10,12H,6-8H2,1-5H3
InChIKeyUOAVWSKQPAEDGY-UHFFFAOYSA-N
XLogP3.74
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076466
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
CID 103076772
5-chloro-6-methyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076376
6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 59028654
5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048
5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076318
5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076152
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
CID 103076453
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-6-methyl-7-[2-(2-methylpropoxy)ethoxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 106447530

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076778) is 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(CC)N(CC(C)C)c1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UOAVWSKQPAEDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-6-12(7-2)20(8-10(3)4)14-11(5)13(16)19-15-17-9-18-21(14)15/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.85 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).