5-bromo-1-methyl-4-propan-2-yltriazole

C6H10BrN3 — CID 69384327

IUPAC5-bromo-1-methyl-4-propan-2-yltriazole
SMILESCC(C)c1nnn(C)c1Br
InChIInChI=1S/C6H10BrN3/c1-4(2)5-6(7)10(3)9-8-5/h4H,1-3H3
InChIKeyPBBBIJCBRQDFHD-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.70
Rot. Bonds1

About 5-bromo-1-methyl-4-propan-2-yltriazole

5-bromo-1-methyl-4-propan-2-yltriazole (PubChem CID 69384327) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 5-bromo-1-methyl-4-propan-2-yltriazole.

Molecular Properties

Compound Name5-bromo-1-methyl-4-propan-2-yltriazole
PubChem CID69384327
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name5-bromo-1-methyl-4-propan-2-yltriazole
SMILESCC(C)c1nnn(C)c1Br
InChIInChI=1S/C6H10BrN3/c1-4(2)5-6(7)10(3)9-8-5/h4H,1-3H3
InChIKeyPBBBIJCBRQDFHD-UHFFFAOYSA-N
XLogP1.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethenyl-1-methyl-4-propan-2-yltriazole
CID 171723470
5-bromo-1-hexyl-4-propan-2-yltriazole
CID 69387210
1-methyl-4-propan-2-yl-5-(trichloromethyl)triazole
CID 69388327
4,5-di(propan-2-yl)triazol-1-amine
CID 141208194
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
[3,5-bis(3-methyl-5-propan-2-yltriazole-4-carbonyl)-1,3,5-triazinan-1-yl]-(3-methyl-5-propan-2-ylimidazol-4-yl)methanone
CID 159568658
3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
CID 84774987
N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine
CID 84765458
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
3-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69384076
1-ethyl-4,5-di(propan-2-yl)triazole
CID 69387515
3-ethyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-4-propan-2-yltriazole?
The IUPAC name of 5-bromo-1-methyl-4-propan-2-yltriazole (CID 69384327) is 5-bromo-1-methyl-4-propan-2-yltriazole.
What is the SMILES notation for 5-bromo-1-methyl-4-propan-2-yltriazole?
The canonical SMILES for 5-bromo-1-methyl-4-propan-2-yltriazole is CC(C)c1nnn(C)c1Br.
What is the InChIKey of 5-bromo-1-methyl-4-propan-2-yltriazole?
The InChIKey is PBBBIJCBRQDFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-4(2)5-6(7)10(3)9-8-5/h4H,1-3H3.
What are the key properties of 5-bromo-1-methyl-4-propan-2-yltriazole?
5-bromo-1-methyl-4-propan-2-yltriazole has a molecular weight of 204.07 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-4-propan-2-yltriazole is sourced from PubChem (CID 69384327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).