2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine

C9H16N4O — CID 115891208

IUPAC2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCc1nc(CNC2CCOC2C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-6-8(3-4-14-6)10-5-9-11-7(2)12-13-9/h6,8,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyHTYJSVRHAULBNR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (PubChem CID 115891208) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
PubChem CID115891208
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCc1nc(CNC2CCOC2C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-6-8(3-4-14-6)10-5-9-11-7(2)12-13-9/h6,8,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyHTYJSVRHAULBNR-UHFFFAOYSA-N
XLogP0.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine with MolForge

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Related Compounds

2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 104530567
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 103907127
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 82727643
(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 131031494
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115685704
(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 131107703
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (CID 115891208) is 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is Cc1nc(CNC2CCOC2C)n[nH]1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is HTYJSVRHAULBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-8(3-4-14-6)10-5-9-11-7(2)12-13-9/h6,8,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 115891208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).