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

C12H11ClN6S — CID 62863151

IUPAC4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(-n2cccn2)n1)c1ccsc1
InChIInChI=1S/C12H11ClN6S/c1-8(9-3-6-20-7-9)15-11-16-10(13)17-12(18-11)19-5-2-4-14-19/h2-8H,1H3,(H,15,16,17,18)
InChIKeyZAOCCTKVQSVAOL-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.95
Rot. Bonds4

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

4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 62863151) has the molecular formula C12H11ClN6S and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
PubChem CID62863151
Molecular FormulaC12H11ClN6S
Molecular Weight306.78 g/mol
Exact Mass306.05
IUPAC Name4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(-n2cccn2)n1)c1ccsc1
InChIInChI=1S/C12H11ClN6S/c1-8(9-3-6-20-7-9)15-11-16-10(13)17-12(18-11)19-5-2-4-14-19/h2-8H,1H3,(H,15,16,17,18)
InChIKeyZAOCCTKVQSVAOL-UHFFFAOYSA-N
XLogP2.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 66355031
4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62864902
4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106389489
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine (CID 62863151) is 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine is CC(Nc1nc(Cl)nc(-n2cccn2)n1)c1ccsc1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZAOCCTKVQSVAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6S/c1-8(9-3-6-20-7-9)15-11-16-10(13)17-12(18-11)19-5-2-4-14-19/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 306.78 g/mol, XLogP of 2.95, 4 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-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).