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

C12H16N6 — CID 66007158

IUPACN-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
SMILESNC1CC(CNc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C12H16N6/c13-10-6-9(7-10)8-14-12-15-16-17-18(12)11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2,(H,14,15,17)
InChIKeyCNRIZPVCGWZTQQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.81
Rot. Bonds4

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

N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 66007158) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
PubChem CID66007158
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
SMILESNC1CC(CNc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C12H16N6/c13-10-6-9(7-10)8-14-12-15-16-17-18(12)11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2,(H,14,15,17)
InChIKeyCNRIZPVCGWZTQQ-UHFFFAOYSA-N
XLogP0.81
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 125435857
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
N-[(1-methylcyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 103736960
2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(1-phenyltetrazol-5-yl)amino]methyl]cyclohexyl]benzamide
CID 87320521
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine (CID 66007158) is N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine is NC1CC(CNc2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is CNRIZPVCGWZTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-10-6-9(7-10)8-14-12-15-16-17-18(12)11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2,(H,14,15,17).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine?
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 244.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 66007158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).