4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H18ClN7 — CID 106196401

IUPAC4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCCCc2ncc[nH]2)nc(N2CCCC2)n1
InChIInChI=1S/C13H18ClN7/c14-11-18-12(17-5-3-4-10-15-6-7-16-10)20-13(19-11)21-8-1-2-9-21/h6-7H,1-5,8-9H2,(H,15,16)(H,17,18,19,20)
InChIKeyTZHWQDIHGCVXHS-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.89
Rot. Bonds6

About 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106196401) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106196401
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCCCc2ncc[nH]2)nc(N2CCCC2)n1
InChIInChI=1S/C13H18ClN7/c14-11-18-12(17-5-3-4-10-15-6-7-16-10)20-13(19-11)21-8-1-2-9-21/h6-7H,1-5,8-9H2,(H,15,16)(H,17,18,19,20)
InChIKeyTZHWQDIHGCVXHS-UHFFFAOYSA-N
XLogP1.89
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-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-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106193154
N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50971632
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62980140
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106196401) is 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NCCCc2ncc[nH]2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is TZHWQDIHGCVXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c14-11-18-12(17-5-3-4-10-15-6-7-16-10)20-13(19-11)21-8-1-2-9-21/h6-7H,1-5,8-9H2,(H,15,16)(H,17,18,19,20).
What are the key properties of 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.79 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106196401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).