N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine

C9H16N4O — CID 66214826

IUPACN-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CC2CCCO2)nn1
InChIInChI=1S/C9H16N4O/c1-10-5-8-6-13(12-11-8)7-9-3-2-4-14-9/h6,9-10H,2-5,7H2,1H3
InChIKeyJOFPJSMLQOGVOL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.18
Rot. Bonds4

About N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine

N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine (PubChem CID 66214826) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
PubChem CID66214826
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CC2CCCO2)nn1
InChIInChI=1S/C9H16N4O/c1-10-5-8-6-13(12-11-8)7-9-3-2-4-14-9/h6,9-10H,2-5,7H2,1H3
InChIKeyJOFPJSMLQOGVOL-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 116523471
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
CID 66269619
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
1-[1-[(3,3-difluorocyclohexyl)methyl]triazol-4-yl]-N-methylmethanamine
CID 114225070

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine (CID 66214826) is N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine is CNCc1cn(CC2CCCO2)nn1.
What is the InChIKey of N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is JOFPJSMLQOGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-5-8-6-13(12-11-8)7-9-3-2-4-14-9/h6,9-10H,2-5,7H2,1H3.
What are the key properties of N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 66214826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).