[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine

C9H16N4O — CID 107044450

IUPAC[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine
SMILESCn1cc(COC2CC(CN)C2)nn1
InChIInChI=1S/C9H16N4O/c1-13-5-8(11-12-13)6-14-9-2-7(3-9)4-10/h5,7,9H,2-4,6,10H2,1H3
InChIKeyNJDDVOWRSBIOEJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.07
Rot. Bonds4

About [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine

[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine (PubChem CID 107044450) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine
PubChem CID107044450
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine
SMILESCn1cc(COC2CC(CN)C2)nn1
InChIInChI=1S/C9H16N4O/c1-13-5-8(11-12-13)6-14-9-2-7(3-9)4-10/h5,7,9H,2-4,6,10H2,1H3
InChIKeyNJDDVOWRSBIOEJ-UHFFFAOYSA-N
XLogP0.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine
CID 107044452
4-[(1-methyltriazol-4-yl)methoxy]cyclohexan-1-amine
CID 107041689
(2S,4R)-4-[(1-methyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid
CID 59188307
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
CID 87414714
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
trans-(1-methyltriazol-4-yl)methyl (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 97075677
[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
CID 107040805
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine?
The IUPAC name of [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine (CID 107044450) is [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine.
What is the SMILES notation for [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine?
The canonical SMILES for [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine is Cn1cc(COC2CC(CN)C2)nn1.
What is the InChIKey of [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine?
The InChIKey is NJDDVOWRSBIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-5-8(11-12-13)6-14-9-2-7(3-9)4-10/h5,7,9H,2-4,6,10H2,1H3.
What are the key properties of [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine?
[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine is sourced from PubChem (CID 107044450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).