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

C14H19ClN6 — CID 62864407

IUPAC4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCCC2CCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C14H19ClN6/c15-12-18-13(16-9-7-11-5-2-1-3-6-11)20-14(19-12)21-10-4-8-17-21/h4,8,10-11H,1-3,5-7,9H2,(H,16,18,19,20)
InChIKeyCWQUPTVPCVAOID-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.09
Rot. Bonds5

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

4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62864407) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62864407
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCCC2CCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C14H19ClN6/c15-12-18-13(16-9-7-11-5-2-1-3-6-11)20-14(19-12)21-10-4-8-17-21/h4,8,10-11H,1-3,5-7,9H2,(H,16,18,19,20)
InChIKeyCWQUPTVPCVAOID-UHFFFAOYSA-N
XLogP3.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
2-N-(2-cyclopropylethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846875
4-chloro-6-pyrazol-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297723
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
CID 106311250
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63685729
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62864407) is 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Clc1nc(NCCC2CCCCC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CWQUPTVPCVAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c15-12-18-13(16-9-7-11-5-2-1-3-6-11)20-14(19-12)21-10-4-8-17-21/h4,8,10-11H,1-3,5-7,9H2,(H,16,18,19,20).
What are the key properties of 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).