3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine

C9H16N4O — CID 130486482

IUPAC3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine
SMILESCC1OCCC1CNc1cnnn1C
InChIInChI=1S/C9H16N4O/c1-7-8(3-4-14-7)5-10-9-6-11-12-13(9)2/h6-8,10H,3-5H2,1-2H3
InChIKeyUIZFKGLZZGUGGP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds3

About 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine

3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine (PubChem CID 130486482) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine
PubChem CID130486482
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine
SMILESCC1OCCC1CNc1cnnn1C
InChIInChI=1S/C9H16N4O/c1-7-8(3-4-14-7)5-10-9-6-11-12-13(9)2/h6-8,10H,3-5H2,1-2H3
InChIKeyUIZFKGLZZGUGGP-UHFFFAOYSA-N
XLogP0.65
TPSA51.97 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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methyltriazol-4-amine
CID 130486129
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine
CID 130486243
6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
CID 114106328
4-[(2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136905786
3-methyl-N-[(2-methyloxolan-3-yl)methyl]-5-nitropyridin-2-amine
CID 114106325
3-methyl-N-(2-methylcyclohexyl)triazol-4-amine
CID 130486151
1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114104938
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine
CID 114106107
2-(4-aminopyrazol-1-yl)-N-[(2-methyloxolan-3-yl)methyl]acetamide
CID 114104631

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine?
The IUPAC name of 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine (CID 130486482) is 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine is CC1OCCC1CNc1cnnn1C.
What is the InChIKey of 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine?
The InChIKey is UIZFKGLZZGUGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(3-4-14-7)5-10-9-6-11-12-13(9)2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine?
3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 130486482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).