1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine

C9H18N4O — CID 115714019

IUPAC1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCCOCC(C)NCCn1cncn1
InChIInChI=1S/C9H18N4O/c1-3-14-6-9(2)11-4-5-13-8-10-7-12-13/h7-9,11H,3-6H2,1-2H3
InChIKeyGGQHVRLMZKGKQQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds7

About 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine

1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (PubChem CID 115714019) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
PubChem CID115714019
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCCOCC(C)NCCn1cncn1
InChIInChI=1S/C9H18N4O/c1-3-14-6-9(2)11-4-5-13-8-10-7-12-13/h7-9,11H,3-6H2,1-2H3
InChIKeyGGQHVRLMZKGKQQ-UHFFFAOYSA-N
XLogP0.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65607863
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 65651262
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 81672148
2-(2,2-difluoroethoxy)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 105910133
2-(1,2,4-Triazol-1-ylmethyl)-1,3-oxazolidine
CID 21735741
2-(1,2,4-Triazol-1-yl)morpholine
CID 53846690
4-(2-Propan-2-yl-1,2,4-triazol-3-yl)morpholine
CID 67734851
1-Methoxy-2-(1,2,4-triazol-1-yl)ethanamine
CID 91492636
(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine
CID 135133067
6-(1H-1,2,4-triazol-1-yl)-1,4-oxazepane
CID 137935687
ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 156868597
1-(Propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 43165943

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (CID 115714019) is 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is CCOCC(C)NCCn1cncn1.
What is the InChIKey of 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The InChIKey is GGQHVRLMZKGKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-14-6-9(2)11-4-5-13-8-10-7-12-13/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine has a molecular weight of 198.27 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115714019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).