N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine

C11H18N4O — CID 107137979

IUPACN-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)nnn1C1CCCOC1
InChIInChI=1S/C11H18N4O/c1-2-11(8-16-5-1)15-7-10(13-14-15)6-12-9-3-4-9/h7,9,11-12H,1-6,8H2
InChIKeyXIUOZCZJQQPDAV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds4

About N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 107137979) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID107137979
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)nnn1C1CCCOC1
InChIInChI=1S/C11H18N4O/c1-2-11(8-16-5-1)15-7-10(13-14-15)6-12-9-3-4-9/h7,9,11-12H,1-6,8H2
InChIKeyXIUOZCZJQQPDAV-UHFFFAOYSA-N
XLogP0.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine 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-[(1-cyclopentyltriazol-4-yl)methyl]cyclopropanamine
CID 66193785
4-(chloromethyl)-1-(oxan-3-yl)triazole
CID 107137451
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63556927
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66192627
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
CID 166430643
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine (CID 107137979) is N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine is c1c(CNC2CC2)nnn1C1CCCOC1.
What is the InChIKey of N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is XIUOZCZJQQPDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-11(8-16-5-1)15-7-10(13-14-15)6-12-9-3-4-9/h7,9,11-12H,1-6,8H2.
What are the key properties of N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 222.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107137979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).