[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine

C9H16N4O — CID 82505598

IUPAC[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine
SMILESCc1c(CN)nnn1CC1CCOC1
InChIInChI=1S/C9H16N4O/c1-7-9(4-10)11-12-13(7)5-8-2-3-14-6-8/h8H,2-6,10H2,1H3
InChIKeyLKVPQDOQKRYLCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds3

About [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine

[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine (PubChem CID 82505598) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine
PubChem CID82505598
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine
SMILESCc1c(CN)nnn1CC1CCOC1
InChIInChI=1S/C9H16N4O/c1-7-9(4-10)11-12-13(7)5-8-2-3-14-6-8/h8H,2-6,10H2,1H3
InChIKeyLKVPQDOQKRYLCW-UHFFFAOYSA-N
XLogP0.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methyl-1-(oxolan-3-ylmethyl)triazole
CID 123205395
5-(2-aminoethyl)-1-(oxolan-3-ylmethyl)triazole-4-carboxylic acid
CID 103119018
3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
CID 62726703
5-methyl-1-(oxan-3-ylmethyl)tetrazole
CID 54156265
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
5-amino-3-methyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbonitrile
CID 75380519
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 62731172
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62731903
tert-butyl 5-methyl-1-(oxan-4-ylmethyl)triazole-4-carboxylate
CID 103112752
2-methoxy-4-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
CID 104784567

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine (CID 82505598) is [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine is Cc1c(CN)nnn1CC1CCOC1.
What is the InChIKey of [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is LKVPQDOQKRYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-9(4-10)11-12-13(7)5-8-2-3-14-6-8/h8H,2-6,10H2,1H3.
What are the key properties of [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine?
[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82505598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).