1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole

C8H15N3 — CID 148834099

IUPAC1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
SMILESCC(C)[C@H](C)c1cn(C)nn1
InChIInChI=1S/C8H15N3/c1-6(2)7(3)8-5-11(4)10-9-8/h5-7H,1-4H3/t7-/m0/s1
InChIKeyOUGCQKUUWALPEX-ZETCQYMHSA-N
MW153.23 g/mol
LogP1.57
Rot. Bonds2

About 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole

1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole (PubChem CID 148834099) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
PubChem CID148834099
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
SMILESCC(C)[C@H](C)c1cn(C)nn1
InChIInChI=1S/C8H15N3/c1-6(2)7(3)8-5-11(4)10-9-8/h5-7H,1-4H3/t7-/m0/s1
InChIKeyOUGCQKUUWALPEX-ZETCQYMHSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole?
The IUPAC name of 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole (CID 148834099) is 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole.
What is the SMILES notation for 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole?
The canonical SMILES for 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole is CC(C)[C@H](C)c1cn(C)nn1.
What is the InChIKey of 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole?
The InChIKey is OUGCQKUUWALPEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)7(3)8-5-11(4)10-9-8/h5-7H,1-4H3/t7-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole?
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole has a molecular weight of 153.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole is sourced from PubChem (CID 148834099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).