1-butan-2-yl-4-ethyltriazole

C8H15N3 — CID 138568192

IUPAC1-butan-2-yl-4-ethyltriazole
SMILESCCc1cn(C(C)CC)nn1
InChIInChI=1S/C8H15N3/c1-4-7(3)11-6-8(5-2)9-10-11/h6-7H,4-5H2,1-3H3
InChIKeyFQSSRSJHMQQPMS-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.81
Rot. Bonds3

About 1-butan-2-yl-4-ethyltriazole

1-butan-2-yl-4-ethyltriazole (PubChem CID 138568192) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-butan-2-yl-4-ethyltriazole.

Molecular Properties

Compound Name1-butan-2-yl-4-ethyltriazole
PubChem CID138568192
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-butan-2-yl-4-ethyltriazole
SMILESCCc1cn(C(C)CC)nn1
InChIInChI=1S/C8H15N3/c1-4-7(3)11-6-8(5-2)9-10-11/h6-7H,4-5H2,1-3H3
InChIKeyFQSSRSJHMQQPMS-UHFFFAOYSA-N
XLogP1.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
1-butan-2-yltriazol-4-amine
CID 79530660
(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine
CID 130567529
ethane;4-ethyl-1-methyltriazole
CID 143593274
1-[(2S)-5-(4-tert-butyltriazol-1-yl)-5-methylhexan-2-yl]-4-ethyltriazole
CID 174013771
1-butan-2-yl-4-pent-3-enyltriazole;1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine;methane
CID 163862251
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-butan-2-yl-4-[[3-[(1-decan-5-yltriazol-4-yl)methoxy]-5-[(1-pentan-2-yltriazol-4-yl)methoxy]phenoxy]methyl]triazole
CID 146565896
1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol
CID 130383221
1-butan-2-yl-4-ethylpyrazole
CID 153355505
bis(1,4-diethyltriazole);ethane
CID 160569546
[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate
CID 123600908

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-ethyltriazole?
The IUPAC name of 1-butan-2-yl-4-ethyltriazole (CID 138568192) is 1-butan-2-yl-4-ethyltriazole.
What is the SMILES notation for 1-butan-2-yl-4-ethyltriazole?
The canonical SMILES for 1-butan-2-yl-4-ethyltriazole is CCc1cn(C(C)CC)nn1.
What is the InChIKey of 1-butan-2-yl-4-ethyltriazole?
The InChIKey is FQSSRSJHMQQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-7(3)11-6-8(5-2)9-10-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-ethyltriazole?
1-butan-2-yl-4-ethyltriazole has a molecular weight of 153.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-ethyltriazole is sourced from PubChem (CID 138568192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).