1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine

C11H22N4O — CID 112592592

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CCOC(C)(C)C
InChIInChI=1S/C11H22N4O/c1-8(2)9-10(12)13-14-15(9)6-7-16-11(3,4)5/h8H,6-7,12H2,1-5H3
InChIKeyPVTNJYWEEDEVDP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine (PubChem CID 112592592) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine
PubChem CID112592592
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CCOC(C)(C)C
InChIInChI=1S/C11H22N4O/c1-8(2)9-10(12)13-14-15(9)6-7-16-11(3,4)5/h8H,6-7,12H2,1-5H3
InChIKeyPVTNJYWEEDEVDP-UHFFFAOYSA-N
XLogP1.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-5-propan-2-yltriazol-4-amine
CID 79542152
1-[2-(2,4-dichlorophenoxy)ethyl]-5-propan-2-yltriazol-4-amine
CID 79542744
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine
CID 79543224
ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)triazole-4-carboxylate
CID 103108217
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
1-(1-adamantylmethyl)-5-propan-2-yltriazol-4-amine
CID 79536580
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542451
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79536589
1-[(2-ethoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542255
5-propan-2-yl-1-propyl-4-(trichloromethyl)triazole
CID 69382654
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542929
1-[(5-fluoro-2-methoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542848

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine (CID 112592592) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine is CC(C)c1c(N)nnn1CCOC(C)(C)C.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine?
The InChIKey is PVTNJYWEEDEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(2)9-10(12)13-14-15(9)6-7-16-11(3,4)5/h8H,6-7,12H2,1-5H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine has a molecular weight of 226.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 112592592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).