4-(2-methylpropyl)-2H-triazole

C6H11N3 — CID 22506913

IUPAC4-(2-methylpropyl)-2H-triazole
SMILESCC(C)Cc1cn[nH]n1
InChIInChI=1S/C6H11N3/c1-5(2)3-6-4-7-9-8-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyBMJNOHUJLKWICC-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.00
Rot. Bonds2

About 4-(2-methylpropyl)-2H-triazole

4-(2-methylpropyl)-2H-triazole (PubChem CID 22506913) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-2H-triazole
PubChem CID22506913
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-(2-methylpropyl)-2H-triazole
SMILESCC(C)Cc1cn[nH]n1
InChIInChI=1S/C6H11N3/c1-5(2)3-6-4-7-9-8-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyBMJNOHUJLKWICC-UHFFFAOYSA-N
XLogP1.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-triazole
CID 44453696
3-(1H-1,2,3-triazol-4-yl)propan-1-amine dihydrochloride
CID 138040989
4-Cyclopropyl-1H-1,2,3-triazole
CID 22401764
3-(1H-1,2,3-triazol-4-yl)propan-1-amine
CID 57177127
4-octyl-2H-triazole
CID 254046
4-cyclopropyl-1H-1,2,3-triazole hydrochloride
CID 121553542
2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-amine hydrochloride
CID 145874776
4-hexyl-2H-triazole
CID 254042
4-decyl-2H-triazole
CID 256339
4-nonyl-2H-triazole
CID 256340
4-Dodecyl-1,2,3-triazole
CID 10776277
4-ethyl-2H-1,2,3-Triazole
CID 14794987

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2H-triazole?
The IUPAC name of 4-(2-methylpropyl)-2H-triazole (CID 22506913) is 4-(2-methylpropyl)-2H-triazole.
What is the SMILES notation for 4-(2-methylpropyl)-2H-triazole?
The canonical SMILES for 4-(2-methylpropyl)-2H-triazole is CC(C)Cc1cn[nH]n1.
What is the InChIKey of 4-(2-methylpropyl)-2H-triazole?
The InChIKey is BMJNOHUJLKWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)3-6-4-7-9-8-6/h4-5H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 4-(2-methylpropyl)-2H-triazole?
4-(2-methylpropyl)-2H-triazole has a molecular weight of 125.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2H-triazole is sourced from PubChem (CID 22506913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).