3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine

C16H17N5O — CID 129016148

IUPAC3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1cc(Nc2n[nH]c(N)n2)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H17N5O/c1-11-7-13(18-16-19-15(17)20-21-16)9-14(8-11)22-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H4,17,18,19,20,21)
InChIKeyRVMUOFCRXSBFOR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.02
Rot. Bonds5

About 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 129016148) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID129016148
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1cc(Nc2n[nH]c(N)n2)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H17N5O/c1-11-7-13(18-16-19-15(17)20-21-16)9-14(8-11)22-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H4,17,18,19,20,21)
InChIKeyRVMUOFCRXSBFOR-UHFFFAOYSA-N
XLogP3.02
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
N-(4-methylphenyl)-5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine
CID 10378921
3-N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 129132072
3-N-(3,5-dimethyl-4-phenylsulfanylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 129015982
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
3-N-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 71420765
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
3-N-(4-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 66490179
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
CID 158286848
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine (CID 129016148) is 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine is Cc1cc(Nc2n[nH]c(N)n2)cc(OCc2ccccc2)c1.
What is the InChIKey of 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RVMUOFCRXSBFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-7-13(18-16-19-15(17)20-21-16)9-14(8-11)22-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H4,17,18,19,20,21).
What are the key properties of 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 295.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methyl-5-phenylmethoxyphenyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 129016148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).