N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline

C12H15N5O — CID 104869019

IUPACN-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline
SMILESCOC1CC(Nc2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C12H15N5O/c1-18-12-6-10(7-12)14-9-2-4-11(5-3-9)17-8-13-15-16-17/h2-5,8,10,12,14H,6-7H2,1H3
InChIKeyDHJJVGMQBSVIER-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds4

About N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline

N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline (PubChem CID 104869019) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline
PubChem CID104869019
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline
SMILESCOC1CC(Nc2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C12H15N5O/c1-18-12-6-10(7-12)14-9-2-4-11(5-3-9)17-8-13-15-16-17/h2-5,8,10,12,14H,6-7H2,1H3
InChIKeyDHJJVGMQBSVIER-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

N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline
CID 104869027
3-N-[4-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79462927
1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
CID 28621696
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221
1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 63910839
N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121645
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 128984890
8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43683977
1-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclobutane-1,3-diamine
CID 80560812
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline (CID 104869019) is N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline is COC1CC(Nc2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline?
The InChIKey is DHJJVGMQBSVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-12-6-10(7-12)14-9-2-4-11(5-3-9)17-8-13-15-16-17/h2-5,8,10,12,14H,6-7H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline?
N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline 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)-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 104869019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).