2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine

C9H16N4O — CID 115751256

IUPAC2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCn1cncn1
InChIInChI=1S/C9H16N4O/c1-8-9(2-5-14-8)11-3-4-13-7-10-6-12-13/h6-9,11H,2-5H2,1H3
InChIKeyTWQDEBPOCOMLOO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.05
Rot. Bonds4

About 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine

2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine (PubChem CID 115751256) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine
PubChem CID115751256
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCn1cncn1
InChIInChI=1S/C9H16N4O/c1-8-9(2-5-14-8)11-3-4-13-7-10-6-12-13/h6-9,11H,2-5H2,1H3
InChIKeyTWQDEBPOCOMLOO-UHFFFAOYSA-N
XLogP0.05
TPSA51.97 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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine
CID 18349129
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545
2-methyl-N-propyloxolan-3-amine;hydrochloride
CID 146154013
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 103907127
1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
CID 65165120
N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82722831
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
(2R)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 129331874
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 128999444
N',N'-diethyl-N-[(2S,3S)-2-methyloxolan-3-yl]propane-1,3-diamine
CID 97358031
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
CID 82726489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine (CID 115751256) is 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine is CC1OCCC1NCCn1cncn1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine?
The InChIKey is TWQDEBPOCOMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8-9(2-5-14-8)11-3-4-13-7-10-6-12-13/h6-9,11H,2-5H2,1H3.
What are the key properties of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine?
2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115751256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).