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

C12H17ClN6 — CID 63003609

IUPAC4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H17ClN6/c1-9(2)5-3-6-14-11-16-10(13)17-12(18-11)19-8-4-7-15-19/h4,7-9H,3,5-6H2,1-2H3,(H,14,16,17,18)
InChIKeyNKMGZOZUJJQUAC-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.56
Rot. Bonds6

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

4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 63003609) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID63003609
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)CCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H17ClN6/c1-9(2)5-3-6-14-11-16-10(13)17-12(18-11)19-8-4-7-15-19/h4,7-9H,3,5-6H2,1-2H3,(H,14,16,17,18)
InChIKeyNKMGZOZUJJQUAC-UHFFFAOYSA-N
XLogP2.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
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-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
CID 106311250
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62864407
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 63003609) is 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC(C)CCCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NKMGZOZUJJQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-9(2)5-3-6-14-11-16-10(13)17-12(18-11)19-8-4-7-15-19/h4,7-9H,3,5-6H2,1-2H3,(H,14,16,17,18).
What are the key properties of 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 280.76 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63003609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).