1-(2,3-dimethylheptyl)-1,2,4-triazole

C11H21N3 — CID 126695073

IUPAC1-(2,3-dimethylheptyl)-1,2,4-triazole
SMILESCCCCC(C)C(C)Cn1cncn1
InChIInChI=1S/C11H21N3/c1-4-5-6-10(2)11(3)7-14-9-12-8-13-14/h8-11H,4-7H2,1-3H3
InChIKeyXQBNHZXUMGMIJI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds6

About 1-(2,3-dimethylheptyl)-1,2,4-triazole

1-(2,3-dimethylheptyl)-1,2,4-triazole (PubChem CID 126695073) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2,3-dimethylheptyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3-dimethylheptyl)-1,2,4-triazole
PubChem CID126695073
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(2,3-dimethylheptyl)-1,2,4-triazole
SMILESCCCCC(C)C(C)Cn1cncn1
InChIInChI=1S/C11H21N3/c1-4-5-6-10(2)11(3)7-14-9-12-8-13-14/h8-11H,4-7H2,1-3H3
InChIKeyXQBNHZXUMGMIJI-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylhexyl)-1,2,4-triazole
CID 63811004
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-2-amine
CID 115726756
1-[2-(bromomethyl)pentyl]-1,2,4-triazole
CID 65011142
(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
1-[2-(4-phenoxyphenyl)hexyl]-1,2,4-triazole
CID 19775636
2-(4-chlorophenyl)-3-propyl-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile
CID 139651598
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
5,6,14,15-tetramethylnonadecane
CID 123473711
2-(1,2,4-triazol-1-yl)hexan-1-ol
CID 174516821
N-octadecyl-N-(1,2,4-triazol-1-ylmethyl)octadecan-1-amine
CID 139658583

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylheptyl)-1,2,4-triazole?
The IUPAC name of 1-(2,3-dimethylheptyl)-1,2,4-triazole (CID 126695073) is 1-(2,3-dimethylheptyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,3-dimethylheptyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,3-dimethylheptyl)-1,2,4-triazole is CCCCC(C)C(C)Cn1cncn1.
What is the InChIKey of 1-(2,3-dimethylheptyl)-1,2,4-triazole?
The InChIKey is XQBNHZXUMGMIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-10(2)11(3)7-14-9-12-8-13-14/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylheptyl)-1,2,4-triazole?
1-(2,3-dimethylheptyl)-1,2,4-triazole has a molecular weight of 195.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylheptyl)-1,2,4-triazole is sourced from PubChem (CID 126695073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).