5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine

C17H20N6 — CID 141321264

IUPAC5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(N)nc(C)c1Cn1ncnc1C(N)c1ccccc1
InChIInChI=1S/C17H20N6/c1-11-8-15(18)22-12(2)14(11)9-23-17(20-10-21-23)16(19)13-6-4-3-5-7-13/h3-8,10,16H,9,19H2,1-2H3,(H2,18,22)
InChIKeyKXPBHUYBXBCKQK-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.97
Rot. Bonds4

About 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine

5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine (PubChem CID 141321264) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine
PubChem CID141321264
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(N)nc(C)c1Cn1ncnc1C(N)c1ccccc1
InChIInChI=1S/C17H20N6/c1-11-8-15(18)22-12(2)14(11)9-23-17(20-10-21-23)16(19)13-6-4-3-5-7-13/h3-8,10,16H,9,19H2,1-2H3,(H2,18,22)
InChIKeyKXPBHUYBXBCKQK-UHFFFAOYSA-N
XLogP1.97
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine?
The IUPAC name of 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine (CID 141321264) is 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine is Cc1cc(N)nc(C)c1Cn1ncnc1C(N)c1ccccc1.
What is the InChIKey of 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine?
The InChIKey is KXPBHUYBXBCKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-8-15(18)22-12(2)14(11)9-23-17(20-10-21-23)16(19)13-6-4-3-5-7-13/h3-8,10,16H,9,19H2,1-2H3,(H2,18,22).
What are the key properties of 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine?
5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[amino(phenyl)methyl]-1,2,4-triazol-1-yl]methyl]-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 141321264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).