(1-cyclobutyltriazol-4-yl)methanamine

C7H12N4 — CID 84649674

IUPAC(1-cyclobutyltriazol-4-yl)methanamine
SMILESNCc1cn(C2CCC2)nn1
InChIInChI=1S/C7H12N4/c8-4-6-5-11(10-9-6)7-2-1-3-7/h5,7H,1-4,8H2
InChIKeyYSSUITIGNQEFTG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.46
Rot. Bonds2

About (1-cyclobutyltriazol-4-yl)methanamine

(1-cyclobutyltriazol-4-yl)methanamine (PubChem CID 84649674) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (1-cyclobutyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyltriazol-4-yl)methanamine
PubChem CID84649674
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(1-cyclobutyltriazol-4-yl)methanamine
SMILESNCc1cn(C2CCC2)nn1
InChIInChI=1S/C7H12N4/c8-4-6-5-11(10-9-6)7-2-1-3-7/h5,7H,1-4,8H2
InChIKeyYSSUITIGNQEFTG-UHFFFAOYSA-N
XLogP0.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
CID 121208761
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
N-[(1-cyclopentyltriazol-4-yl)methyl]cyclopropanamine
CID 66193785
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
CID 116641788
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 30956686
2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
CID 166430643
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
CID 113424708

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyltriazol-4-yl)methanamine?
The IUPAC name of (1-cyclobutyltriazol-4-yl)methanamine (CID 84649674) is (1-cyclobutyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-cyclobutyltriazol-4-yl)methanamine?
The canonical SMILES for (1-cyclobutyltriazol-4-yl)methanamine is NCc1cn(C2CCC2)nn1.
What is the InChIKey of (1-cyclobutyltriazol-4-yl)methanamine?
The InChIKey is YSSUITIGNQEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-4-6-5-11(10-9-6)7-2-1-3-7/h5,7H,1-4,8H2.
What are the key properties of (1-cyclobutyltriazol-4-yl)methanamine?
(1-cyclobutyltriazol-4-yl)methanamine has a molecular weight of 152.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyltriazol-4-yl)methanamine is sourced from PubChem (CID 84649674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).