4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine

C10H7ClN6S — CID 66355031

IUPAC4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccsc2)nc(-n2cccn2)n1
InChIInChI=1S/C10H7ClN6S/c11-8-14-9(13-7-2-5-18-6-7)16-10(15-8)17-4-1-3-12-17/h1-6H,(H,13,14,15,16)
InChIKeySIXBEUCJAAIWHO-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine

4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine (PubChem CID 66355031) has the molecular formula C10H7ClN6S and a molecular weight of 278.73 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
PubChem CID66355031
Molecular FormulaC10H7ClN6S
Molecular Weight278.73 g/mol
Exact Mass278.01
IUPAC Name4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccsc2)nc(-n2cccn2)n1
InChIInChI=1S/C10H7ClN6S/c11-8-14-9(13-7-2-5-18-6-7)16-10(15-8)17-4-1-3-12-17/h1-6H,(H,13,14,15,16)
InChIKeySIXBEUCJAAIWHO-UHFFFAOYSA-N
XLogP2.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
CID 62863151
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497
4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868809
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868993
4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637029
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637186
N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863763
4-chloro-6-pyrazol-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297723
4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62864902
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine (CID 66355031) is 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2ccsc2)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine?
The InChIKey is SIXBEUCJAAIWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6S/c11-8-14-9(13-7-2-5-18-6-7)16-10(15-8)17-4-1-3-12-17/h1-6H,(H,13,14,15,16).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine has a molecular weight of 278.73 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66355031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).