2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine

C9H16N4O — CID 83818730

IUPAC2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1ncn(CC2CCCO2)n1
InChIInChI=1S/C9H16N4O/c10-4-3-9-11-7-13(12-9)6-8-2-1-5-14-8/h7-8H,1-6,10H2
InChIKeyGJRJWGNNZGLHOG-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.04
Rot. Bonds4

About 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine

2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 83818730) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID83818730
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1ncn(CC2CCCO2)n1
InChIInChI=1S/C9H16N4O/c10-4-3-9-11-7-13(12-9)6-8-2-1-5-14-8/h7-8H,1-6,10H2
InChIKeyGJRJWGNNZGLHOG-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanone
CID 155480196
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine
CID 66406650
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 62730584
2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82401859
7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine
CID 67469568
3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole
CID 168728198

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine (CID 83818730) is 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine is NCCc1ncn(CC2CCCO2)n1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is GJRJWGNNZGLHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-4-3-9-11-7-13(12-9)6-8-2-1-5-14-8/h7-8H,1-6,10H2.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 196.25 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 83818730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).