5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H16ClN5 — CID 103076184

IUPAC5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H16ClN5/c1-3-4-5-6-13-10-8(2)9(12)16-11-14-7-15-17(10)11/h7,13H,3-6H2,1-2H3
InChIKeyBIFQFKCVWQDYCQ-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.69
Rot. Bonds5

About 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076184) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076184
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H16ClN5/c1-3-4-5-6-13-10-8(2)9(12)16-11-14-7-15-17(10)11/h7,13H,3-6H2,1-2H3
InChIKeyBIFQFKCVWQDYCQ-UHFFFAOYSA-N
XLogP2.69
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076803
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
5-chloro-6-methyl-7-pentylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107751048
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 103076311
5-chloro-N-[(4-ethylphenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106900563
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341657
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076779
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]methyl]cyclobutan-1-ol
CID 103076747
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248479

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076184) is 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCNc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BIFQFKCVWQDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-3-4-5-6-13-10-8(2)9(12)16-11-14-7-15-17(10)11/h7,13H,3-6H2,1-2H3.
What are the key properties of 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 253.74 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).