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

C11H20N4O — CID 114688647

IUPAC(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)C1(C)CCCO1
InChIInChI=1S/C11H20N4O/c1-3-6-15-9(8-13-14-15)10(12)11(2)5-4-7-16-11/h8,10H,3-7,12H2,1-2H3
InChIKeyGVWNBNXRUILJND-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.26
Rot. Bonds4

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

(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 114688647) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID114688647
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)C1(C)CCCO1
InChIInChI=1S/C11H20N4O/c1-3-6-15-9(8-13-14-15)10(12)11(2)5-4-7-16-11/h8,10H,3-7,12H2,1-2H3
InChIKeyGVWNBNXRUILJND-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 80683782
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
CID 105038890
(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
CID 114686588
N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114689312
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038683

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine (CID 114688647) is (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)C1(C)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is GVWNBNXRUILJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-6-15-9(8-13-14-15)10(12)11(2)5-4-7-16-11/h8,10H,3-7,12H2,1-2H3.
What are the key properties of (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine?
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 224.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).