1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine

C10H13N5O — CID 121320242

IUPAC1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
SMILESCOc1cccc(Cn2nc(N)nc2N)c1
InChIInChI=1S/C10H13N5O/c1-16-8-4-2-3-7(5-8)6-15-10(12)13-9(11)14-15/h2-5H,6H2,1H3,(H4,11,12,13,14)
InChIKeyUSLUYNYDJJOYJS-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.50
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine

1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine (PubChem CID 121320242) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
PubChem CID121320242
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
SMILESCOc1cccc(Cn2nc(N)nc2N)c1
InChIInChI=1S/C10H13N5O/c1-16-8-4-2-3-7(5-8)6-15-10(12)13-9(11)14-15/h2-5H,6H2,1H3,(H4,11,12,13,14)
InChIKeyUSLUYNYDJJOYJS-UHFFFAOYSA-N
XLogP0.50
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
4-chloro-1-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 22015510
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299636
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
(3-methoxyphenyl)methanethiol
CID 10749403
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860
4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328526
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine (CID 121320242) is 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine is COc1cccc(Cn2nc(N)nc2N)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is USLUYNYDJJOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-16-8-4-2-3-7(5-8)6-15-10(12)13-9(11)14-15/h2-5H,6H2,1H3,(H4,11,12,13,14).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine?
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 219.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 121320242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).