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

C13H12ClN7 — CID 62864902

IUPAC4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(-n2cccn2)n1)c1ccccn1
InChIInChI=1S/C13H12ClN7/c1-9(10-5-2-3-6-15-10)17-12-18-11(14)19-13(20-12)21-8-4-7-16-21/h2-9H,1H3,(H,17,18,19,20)
InChIKeyQPIXMIOQLKBTLC-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.28
Rot. Bonds4

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

4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 62864902) has the molecular formula C13H12ClN7 and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
PubChem CID62864902
Molecular FormulaC13H12ClN7
Molecular Weight301.74 g/mol
Exact Mass301.08
IUPAC Name4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(-n2cccn2)n1)c1ccccn1
InChIInChI=1S/C13H12ClN7/c1-9(10-5-2-3-6-15-10)17-12-18-11(14)19-13(20-12)21-8-4-7-16-21/h2-9H,1H3,(H,17,18,19,20)
InChIKeyQPIXMIOQLKBTLC-UHFFFAOYSA-N
XLogP2.28
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106389489
4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
CID 62863151
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
2-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43736964
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-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine (CID 62864902) is 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine is CC(Nc1nc(Cl)nc(-n2cccn2)n1)c1ccccn1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is QPIXMIOQLKBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7/c1-9(10-5-2-3-6-15-10)17-12-18-11(14)19-13(20-12)21-8-4-7-16-21/h2-9H,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 301.74 g/mol, XLogP of 2.28, 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-pyridin-2-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).