N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine

C14H14N6 — CID 62500427

IUPACN-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
SMILESNc1cccc(CNc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H14N6/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10,15H2,(H,16,17,19)
InChIKeyLLRIRVCCZUKOHH-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.86
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine

N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 62500427) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
PubChem CID62500427
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC NameN-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
SMILESNc1cccc(CNc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H14N6/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10,15H2,(H,16,17,19)
InChIKeyLLRIRVCCZUKOHH-UHFFFAOYSA-N
XLogP1.86
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-phenyltetrazol-5-amine
CID 133286987
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 133300991
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine
CID 9023675
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 78983843
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
CID 66538914
2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
CID 133448175
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 60967739
3-[(1-phenyltetrazol-5-yl)methoxy]aniline
CID 61035872

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine (CID 62500427) is N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine is Nc1cccc(CNc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is LLRIRVCCZUKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10,15H2,(H,16,17,19).
What are the key properties of N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine?
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 266.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 62500427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).