N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H21N5 — CID 90956714

IUPACN-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCC(CC)Nc1c(C)cnc2ncnn12
InChIInChI=1S/C13H21N5/c1-4-6-7-11(5-2)17-12-10(3)8-14-13-15-9-16-18(12)13/h8-9,11,17H,4-7H2,1-3H3
InChIKeyFTNWMRPMISORHX-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.81
Rot. Bonds6

About N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 90956714) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID90956714
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCC(CC)Nc1c(C)cnc2ncnn12
InChIInChI=1S/C13H21N5/c1-4-6-7-11(5-2)17-12-10(3)8-14-13-15-9-16-18(12)13/h8-9,11,17H,4-7H2,1-3H3
InChIKeyFTNWMRPMISORHX-UHFFFAOYSA-N
XLogP2.81
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-heptan-3-yl-6-methyl-[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

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 90956714) is N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCC(CC)Nc1c(C)cnc2ncnn12.
What is the InChIKey of N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FTNWMRPMISORHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-6-7-11(5-2)17-12-10(3)8-14-13-15-9-16-18(12)13/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 247.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 90956714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).