N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H16ClN7 — CID 80911509

IUPACN-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H16ClN7/c14-9-3-5-10(6-4-9)16-11-17-12(20-15)19-13(18-11)21-7-1-2-8-21/h3-6H,1-2,7-8,15H2,(H2,16,17,18,19,20)
InChIKeyLPASLJORHWZEIV-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.15
Rot. Bonds4

About N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80911509) has the molecular formula C13H16ClN7 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80911509
Molecular FormulaC13H16ClN7
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC NameN-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H16ClN7/c14-9-3-5-10(6-4-9)16-11-17-12(20-15)19-13(18-11)21-7-1-2-8-21/h3-6H,1-2,7-8,15H2,(H2,16,17,18,19,20)
InChIKeyLPASLJORHWZEIV-UHFFFAOYSA-N
XLogP2.15
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-4-hydrazinyl-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

2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869331
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736345
6-(azepan-1-yl)-2-N-[(4-chlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 4030930
N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
CID 58865197
2-(azepan-1-yl)-4-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 3784004
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80911509) is N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is NNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LPASLJORHWZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7/c14-9-3-5-10(6-4-9)16-11-17-12(20-15)19-13(18-11)21-7-1-2-8-21/h3-6H,1-2,7-8,15H2,(H2,16,17,18,19,20).
What are the key properties of N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 305.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).