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

C11H15ClN6O — CID 62984785

IUPAC4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOCCCN(C)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-17(6-4-8-19-2)10-14-9(12)15-11(16-10)18-7-3-5-13-18/h3,5,7H,4,6,8H2,1-2H3
InChIKeyBXGHESHJXFNTMB-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.18
Rot. Bonds6

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

4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62984785) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62984785
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOCCCN(C)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-17(6-4-8-19-2)10-14-9(12)15-11(16-10)18-7-3-5-13-18/h3,5,7H,4,6,8H2,1-2H3
InChIKeyBXGHESHJXFNTMB-UHFFFAOYSA-N
XLogP1.18
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62984785) is 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is COCCCN(C)c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BXGHESHJXFNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-17(6-4-8-19-2)10-14-9(12)15-11(16-10)18-7-3-5-13-18/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.73 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62984785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).