4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine

C14H16N6O2 — CID 134543140

IUPAC4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(N)nnc1-c1ccn(C)n1
InChIInChI=1S/C14H16N6O2/c1-19-8-7-9(18-19)13-16-17-14(15)20(13)12-10(21-2)5-4-6-11(12)22-3/h4-8H,1-3H3,(H2,15,17)
InChIKeyUBTTTWRUODQXNJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.27
Rot. Bonds4

About 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine

4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine (PubChem CID 134543140) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine
PubChem CID134543140
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(N)nnc1-c1ccn(C)n1
InChIInChI=1S/C14H16N6O2/c1-19-8-7-9(18-19)13-16-17-14(15)20(13)12-10(21-2)5-4-6-11(12)22-3/h4-8H,1-3H3,(H2,15,17)
InChIKeyUBTTTWRUODQXNJ-UHFFFAOYSA-N
XLogP1.27
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine (CID 134543140) is 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine is COc1cccc(OC)c1-n1c(N)nnc1-c1ccn(C)n1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is UBTTTWRUODQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-19-8-7-9(18-19)13-16-17-14(15)20(13)12-10(21-2)5-4-6-11(12)22-3/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine?
4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 300.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 134543140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).