1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine

C15H16N6O — CID 833835

IUPAC1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20)
InChIKeyXCHYCELRMQJATG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.58
Rot. Bonds6

About 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 833835) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID833835
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20)
InChIKeyXCHYCELRMQJATG-UHFFFAOYSA-N
XLogP1.58
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833834
1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
CID 2214872
N*1*-(2-Allyloxy-3-methoxy-benzyl)-tetrazole-1,5-diamine
CID 3155255
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
N~1~-[2-(allyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 2214282
N-[3-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine
CID 755964
N~1~-(4-ethoxybenzyl)-1H-tetraazole-1,5-diamine
CID 833772
5-(3-Phenoxyphenyl)-1H-tetrazole
CID 7010320
5-(3-Benzyloxyphenyl)-1H-tetrazole
CID 7010322
5-[3-[(2,6-Dimethylphenyl)methoxy]phenyl]tetrazolidine
CID 91669265
5-(3-Phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
CID 7010321
1-N-[(3-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
CID 2214891

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine (CID 833835) is 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is XCHYCELRMQJATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20).
What are the key properties of 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 296.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 833835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).