2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine

C8H14N4O — CID 82727643

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
SMILESCC1OCCC1NCc1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-6-7(2-3-13-6)9-4-8-10-5-11-12-8/h5-7,9H,2-4H2,1H3,(H,10,11,12)
InChIKeyZRFXXUYYVXSUJW-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.07
Rot. Bonds3

About 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine (PubChem CID 82727643) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
PubChem CID82727643
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
SMILESCC1OCCC1NCc1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-6-7(2-3-13-6)9-4-8-10-5-11-12-8/h5-7,9H,2-4H2,1H3,(H,10,11,12)
InChIKeyZRFXXUYYVXSUJW-UHFFFAOYSA-N
XLogP0.07
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine 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-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
CID 130554368
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
CID 82726489
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 115891208
(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 131107703
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
4,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 130698407
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine (CID 82727643) is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine is CC1OCCC1NCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine?
The InChIKey is ZRFXXUYYVXSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-7(2-3-13-6)9-4-8-10-5-11-12-8/h5-7,9H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine?
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine has a molecular weight of 182.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 82727643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).