1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine

C8H16N4 — CID 84765468

IUPAC1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
SMILESCCn1cc(CC(C)(C)N)nn1
InChIInChI=1S/C8H16N4/c1-4-12-6-7(10-11-12)5-8(2,3)9/h6H,4-5,9H2,1-3H3
InChIKeyXGQVDCODSAUYSZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.58
Rot. Bonds3

About 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine

1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine (PubChem CID 84765468) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
PubChem CID84765468
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
SMILESCCn1cc(CC(C)(C)N)nn1
InChIInChI=1S/C8H16N4/c1-4-12-6-7(10-11-12)5-8(2,3)9/h6H,4-5,9H2,1-3H3
InChIKeyXGQVDCODSAUYSZ-UHFFFAOYSA-N
XLogP0.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1,4-diethyltriazole);ethane
CID 160569546
4-(bromomethyl)-1-ethyltriazole
CID 62400485
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097
4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136
1-[(1-ethyltriazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 165472533
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
1-ethyl-4-methyltriazole
CID 58612101
1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine (CID 84765468) is 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine is CCn1cc(CC(C)(C)N)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine?
The InChIKey is XGQVDCODSAUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-12-6-7(10-11-12)5-8(2,3)9/h6H,4-5,9H2,1-3H3.
What are the key properties of 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine?
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 84765468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).