2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C9H18N4O — CID 83880339

IUPAC2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOc1nnc(CCN)n1C(C)C
InChIInChI=1S/C9H18N4O/c1-4-14-9-12-11-8(5-6-10)13(9)7(2)3/h7H,4-6,10H2,1-3H3
InChIKeyFLRWXEUTXNXPQR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.76
Rot. Bonds5

About 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 83880339) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID83880339
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOc1nnc(CCN)n1C(C)C
InChIInChI=1S/C9H18N4O/c1-4-14-9-12-11-8(5-6-10)13(9)7(2)3/h7H,4-6,10H2,1-3H3
InChIKeyFLRWXEUTXNXPQR-UHFFFAOYSA-N
XLogP0.76
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(bromomethyl)-5-ethoxy-4-propan-2-yl-1,2,4-triazole
CID 115399000
(4-tert-butyl-5-ethoxy-1,2,4-triazol-3-yl)methanamine
CID 83880337
5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61376855
(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396143
3-ethoxy-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 45096531
ethane;5-ethoxy-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178164887
3-(chloromethyl)-5-(3-ethoxypropyl)-4-propan-2-yl-1,2,4-triazole
CID 115397666
2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 82013503
2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid
CID 83876511
3-(bromomethyl)-5-ethoxy-4-ethyl-1,2,4-triazole
CID 115399488

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 83880339) is 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CCOc1nnc(CCN)n1C(C)C.
What is the InChIKey of 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FLRWXEUTXNXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-14-9-12-11-8(5-6-10)13(9)7(2)3/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 83880339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).