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

C6H5ClN6 — CID 83240580

IUPAC4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2ccn[nH]2)n1
InChIInChI=1S/C6H5ClN6/c7-5-10-4(11-6(8)12-5)3-1-2-9-13-3/h1-2H,(H,9,13)(H2,8,10,11,12)
InChIKeyPNSZQOXZPILSLS-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.50
Rot. Bonds1

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

4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine (PubChem CID 83240580) has the molecular formula C6H5ClN6 and a molecular weight of 196.60 g/mol. Its IUPAC name is 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine
PubChem CID83240580
Molecular FormulaC6H5ClN6
Molecular Weight196.60 g/mol
Exact Mass196.03
IUPAC Name4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2ccn[nH]2)n1
InChIInChI=1S/C6H5ClN6/c7-5-10-4(11-6(8)12-5)3-1-2-9-13-3/h1-2H,(H,9,13)(H2,8,10,11,12)
InChIKeyPNSZQOXZPILSLS-UHFFFAOYSA-N
XLogP0.50
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine (CID 83240580) is 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-c2ccn[nH]2)n1.
What is the InChIKey of 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is PNSZQOXZPILSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN6/c7-5-10-4(11-6(8)12-5)3-1-2-9-13-3/h1-2H,(H,9,13)(H2,8,10,11,12).
What are the key properties of 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 196.60 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1H-pyrazol-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).