4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

C12H17ClF3N5 — CID 80829196

IUPAC4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-5-17-10-18-9(13)19-11(20-10)21-6-3-4-8(7-21)12(14,15)16/h8H,2-7H2,1H3,(H,17,18,19,20)
InChIKeyNNTDYEOAGTZQOC-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80829196) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80829196
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-5-17-10-18-9(13)19-11(20-10)21-6-3-4-8(7-21)12(14,15)16/h8H,2-7H2,1H3,(H,17,18,19,20)
InChIKeyNNTDYEOAGTZQOC-UHFFFAOYSA-N
XLogP3.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-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

6-piperidin-1-yl-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 178294349
4-chloro-N-cyclopropyl-6-(3,5-dimethyl-1-piperidyl)-1,3,5-triazin-2-amine
CID 71598072
6-chloro-4-N-[(3,3-difluorocyclobutyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 156423585
N-(tert-Butyl)-4-chloro-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 535393
2,4-Dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 60726181
4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62865005
4-chloro-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62869894
4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 63227550
2,4-Dichloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65530627
4-chloro-N-methyl-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 65530812
2-Chloro-4-methoxy-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65531013
4-chloro-N,N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 65532175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 80829196) is 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is NNTDYEOAGTZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c1-2-5-17-10-18-9(13)19-11(20-10)21-6-3-4-8(7-21)12(14,15)16/h8H,2-7H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 323.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80829196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).