(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine

C11H20N4O — CID 105038890

IUPAC(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)C1CCOC1C
InChIInChI=1S/C11H20N4O/c1-3-5-15-10(7-13-14-15)11(12)9-4-6-16-8(9)2/h7-9,11H,3-6,12H2,1-2H3
InChIKeyNTTRMQQOTPTPGZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.11
Rot. Bonds4

About (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine

(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038890) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105038890
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)C1CCOC1C
InChIInChI=1S/C11H20N4O/c1-3-5-15-10(7-13-14-15)11(12)9-4-6-16-8(9)2/h7-9,11H,3-6,12H2,1-2H3
InChIKeyNTTRMQQOTPTPGZ-UHFFFAOYSA-N
XLogP1.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine 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

(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808146
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688558
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006588
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687956
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
2,3-dihydro-1-benzothiophen-3-yl-(3-propyltriazol-4-yl)methanamine
CID 105182209
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine (CID 105038890) is (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)C1CCOC1C.
What is the InChIKey of (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is NTTRMQQOTPTPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-15-10(7-13-14-15)11(12)9-4-6-16-8(9)2/h7-9,11H,3-6,12H2,1-2H3.
What are the key properties of (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine?
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 224.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).