6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H27N5 — CID 69499706

IUPAC6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1c(C(C)C)nc2ncnn2c1N
InChIInChI=1S/C16H27N5/c1-4-5-6-7-8-9-10-13-14(12(2)3)20-16-18-11-19-21(16)15(13)17/h11-12H,4-10,17H2,1-3H3
InChIKeyLSXDTTSLNXADOD-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.73
Rot. Bonds8

About 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69499706) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69499706
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1c(C(C)C)nc2ncnn2c1N
InChIInChI=1S/C16H27N5/c1-4-5-6-7-8-9-10-13-14(12(2)3)20-16-18-11-19-21(16)15(13)17/h11-12H,4-10,17H2,1-3H3
InChIKeyLSXDTTSLNXADOD-UHFFFAOYSA-N
XLogP3.73
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
CID 169433103
5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 11522134
6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69362070
6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69226920
N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141209103
5-chloro-6-methyl-7-pentylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107751048
2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
CID 80704301
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
7-chloro-6-(2-chlorobutyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12671299
2,3-dihexylbenzene-1,4-diamine
CID 18324632
5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011970

Frequently Asked Questions

What is the IUPAC name of 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69499706) is 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCCCCc1c(C(C)C)nc2ncnn2c1N.
What is the InChIKey of 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LSXDTTSLNXADOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-5-6-7-8-9-10-13-14(12(2)3)20-16-18-11-19-21(16)15(13)17/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69499706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).