2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine

C12H9ClN6 — CID 104737125

IUPAC2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
SMILESClc1nc(Cc2cccnc2)nc(-n2cccn2)n1
InChIInChI=1S/C12H9ClN6/c13-11-16-10(7-9-3-1-4-14-8-9)17-12(18-11)19-6-2-5-15-19/h1-6,8H,7H2
InChIKeyOANUXKIYHBCJCQ-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.70
Rot. Bonds3

About 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine

2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine (PubChem CID 104737125) has the molecular formula C12H9ClN6 and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
PubChem CID104737125
Molecular FormulaC12H9ClN6
Molecular Weight272.70 g/mol
Exact Mass272.06
IUPAC Name2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
SMILESClc1nc(Cc2cccnc2)nc(-n2cccn2)n1
InChIInChI=1S/C12H9ClN6/c13-11-16-10(7-9-3-1-4-14-8-9)17-12(18-11)19-6-2-5-15-19/h1-6,8H,7H2
InChIKeyOANUXKIYHBCJCQ-UHFFFAOYSA-N
XLogP1.70
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737099
4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104737196
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
4-chloro-N-methyl-N-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864391
9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine
CID 150054628
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-4-(pyridin-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 104737277
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62865121
4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 66355031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine (CID 104737125) is 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine is Clc1nc(Cc2cccnc2)nc(-n2cccn2)n1.
What is the InChIKey of 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
The InChIKey is OANUXKIYHBCJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6/c13-11-16-10(7-9-3-1-4-14-8-9)17-12(18-11)19-6-2-5-15-19/h1-6,8H,7H2.
What are the key properties of 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine?
2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine has a molecular weight of 272.70 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine is sourced from PubChem (CID 104737125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).