5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H12ClN7 — CID 102918251

IUPAC5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCCn2ccnc2)n2ncnc2n1
InChIInChI=1S/C11H12ClN7/c12-9-6-10(19-11(17-9)15-7-16-19)14-2-1-4-18-5-3-13-8-18/h3,5-8,14H,1-2,4H2
InChIKeyYBVFTIHHZFSWEY-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.48
Rot. Bonds5

About 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918251) has the molecular formula C11H12ClN7 and a molecular weight of 277.72 g/mol. Its IUPAC name is 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918251
Molecular FormulaC11H12ClN7
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCCn2ccnc2)n2ncnc2n1
InChIInChI=1S/C11H12ClN7/c12-9-6-10(19-11(17-9)15-7-16-19)14-2-1-4-18-5-3-13-8-18/h3,5-8,14H,1-2,4H2
InChIKeyYBVFTIHHZFSWEY-UHFFFAOYSA-N
XLogP1.48
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(3-imidazol-1-ylpropyl)-[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

N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
5-chloro-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918665
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194823
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 170427296
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102919122
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918251) is 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCCCn2ccnc2)n2ncnc2n1.
What is the InChIKey of 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YBVFTIHHZFSWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN7/c12-9-6-10(19-11(17-9)15-7-16-19)14-2-1-4-18-5-3-13-8-18/h3,5-8,14H,1-2,4H2.
What are the key properties of 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 277.72 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).