4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine

C11H15ClN6O — CID 55205368

IUPAC4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccnn2C)n1
InChIInChI=1S/C11H15ClN6O/c1-3-6-19-11-16-9(12)15-10(17-11)13-7-8-4-5-14-18(8)2/h4-5H,3,6-7H2,1-2H3,(H,13,15,16,17)
InChIKeyLDXHENYDPAEAFT-UHFFFAOYSA-N
MW282.74 g/mol
LogP1.66
Rot. Bonds6

About 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55205368) has the molecular formula C11H15ClN6O and a molecular weight of 282.74 g/mol. Its IUPAC name is 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55205368
Molecular FormulaC11H15ClN6O
Molecular Weight282.74 g/mol
Exact Mass282.10
IUPAC Name4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccnn2C)n1
InChIInChI=1S/C11H15ClN6O/c1-3-6-19-11-16-9(12)15-10(17-11)13-7-8-4-5-14-18(8)2/h4-5H,3,6-7H2,1-2H3,(H,13,15,16,17)
InChIKeyLDXHENYDPAEAFT-UHFFFAOYSA-N
XLogP1.66
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 103012354
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194334
4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864682
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 55205368) is 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCc2ccnn2C)n1.
What is the InChIKey of 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LDXHENYDPAEAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-3-6-19-11-16-9(12)15-10(17-11)13-7-8-4-5-14-18(8)2/h4-5H,3,6-7H2,1-2H3,(H,13,15,16,17).
What are the key properties of 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.74 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55205368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).