(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine

C7H14N4 — CID 125458566

IUPAC(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
SMILESCCn1cc(C[C@H](C)N)nn1
InChIInChI=1S/C7H14N4/c1-3-11-5-7(9-10-11)4-6(2)8/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyVSUMVGPGOITUIY-LURJTMIESA-N
MW154.22 g/mol
LogP0.19
Rot. Bonds3

About (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine

(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine (PubChem CID 125458566) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
PubChem CID125458566
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
SMILESCCn1cc(C[C@H](C)N)nn1
InChIInChI=1S/C7H14N4/c1-3-11-5-7(9-10-11)4-6(2)8/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyVSUMVGPGOITUIY-LURJTMIESA-N
XLogP0.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097
bis(1,4-diethyltriazole);ethane
CID 160569546
4-(bromomethyl)-1-ethyltriazole
CID 62400485
4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136
1-ethyl-4-[2-(5-ethylthiophen-2-yl)propyl]triazole
CID 112718224
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
CID 84765468
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
1-ethyl-4-[[3-(2-methylpropyl)phenyl]methyl]triazole
CID 126551634
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine?
The IUPAC name of (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine (CID 125458566) is (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine is CCn1cc(C[C@H](C)N)nn1.
What is the InChIKey of (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine?
The InChIKey is VSUMVGPGOITUIY-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N4/c1-3-11-5-7(9-10-11)4-6(2)8/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine?
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-ethyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 125458566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).