4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

C15H18N6O — CID 1472728

IUPAC4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1
InChIInChI=1S/C15H18N6O/c1-10-18-19-15(13-8-17-20(2)14(13)16)21(10)9-11-4-6-12(22-3)7-5-11/h4-8H,9,16H2,1-3H3
InChIKeyVNWDDYZQXWDNLV-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.63
Rot. Bonds4

About 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (PubChem CID 1472728) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
PubChem CID1472728
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1
InChIInChI=1S/C15H18N6O/c1-10-18-19-15(13-8-17-20(2)14(13)16)21(10)9-11-4-6-12(22-3)7-5-11/h4-8H,9,16H2,1-3H3
InChIKeyVNWDDYZQXWDNLV-UHFFFAOYSA-N
XLogP1.63
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (CID 1472728) is 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is COc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is VNWDDYZQXWDNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-18-19-15(13-8-17-20(2)14(13)16)21(10)9-11-4-6-12(22-3)7-5-11/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 298.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 1472728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).