N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine

C12H15N5O — CID 113428720

IUPACN-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
SMILESCOC1CC(Nc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C12H15N5O/c1-18-11-7-9(8-11)13-12-14-15-16-17(12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14,16)
InChIKeyVBYJCGSOTBMERA-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds4

About N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine

N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine (PubChem CID 113428720) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
PubChem CID113428720
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
SMILESCOC1CC(Nc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C12H15N5O/c1-18-11-7-9(8-11)13-12-14-15-16-17(12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14,16)
InChIKeyVBYJCGSOTBMERA-UHFFFAOYSA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
CID 64670207
1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
CID 2561113
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
CID 11938976
N-(3-methoxycyclopentyl)-1-methyltetrazol-5-amine
CID 103082019
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine (CID 113428720) is N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine is COC1CC(Nc2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine?
The InChIKey is VBYJCGSOTBMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-11-7-9(8-11)13-12-14-15-16-17(12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14,16).
What are the key properties of N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine?
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine has a molecular weight of 245.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine is sourced from PubChem (CID 113428720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).