3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

C15H15N5O — CID 123440770

IUPAC3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2ccccc2Oc2ccccc2)n[nH]1
InChIInChI=1S/C15H15N5O/c16-14-18-15(20-19-14)17-10-11-6-4-5-9-13(11)21-12-7-2-1-3-8-12/h1-9H,10H2,(H4,16,17,18,19,20)
InChIKeyOQWJPOYPRUFCOO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.79
Rot. Bonds5

About 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 123440770) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID123440770
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2ccccc2Oc2ccccc2)n[nH]1
InChIInChI=1S/C15H15N5O/c16-14-18-15(20-19-14)17-10-11-6-4-5-9-13(11)21-12-7-2-1-3-8-12/h1-9H,10H2,(H4,16,17,18,19,20)
InChIKeyOQWJPOYPRUFCOO-UHFFFAOYSA-N
XLogP2.79
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(2-chloro-6-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 2806094
N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 2193446
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 760178
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
(2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2212990
N-{[2-(allyloxy)-1-naphthyl]methyl}-1H-1,2,4-triazol-3-amine
CID 2215472
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
1H-1,2,4-triazol-3-yl({2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amin e
CID 1087688
1H-1,2,4-Triazol-3-amine, 5-(2-trifluoromethoxybenzylamino)-
CID 573278
N,N'-bis(2-methoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
CID 2237121
(2-Allyloxy-3-methoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2215585

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 123440770) is 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NCc2ccccc2Oc2ccccc2)n[nH]1.
What is the InChIKey of 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is OQWJPOYPRUFCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-14-18-15(20-19-14)17-10-11-6-4-5-9-13(11)21-12-7-2-1-3-8-12/h1-9H,10H2,(H4,16,17,18,19,20).
What are the key properties of 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 281.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 123440770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).