2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole

C10H21N3 — CID 58709420

IUPAC2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole
SMILESCC(C)C1=C(C(C)C)N(C)N(C)N1
InChIInChI=1S/C10H21N3/c1-7(2)9-10(8(3)4)12(5)13(6)11-9/h7-8,11H,1-6H3
InChIKeyZMPWAPWOOZGEBF-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.81
Rot. Bonds2

About 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole

2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole (PubChem CID 58709420) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole.

Molecular Properties

Compound Name2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole
PubChem CID58709420
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole
SMILESCC(C)C1=C(C(C)C)N(C)N(C)N1
InChIInChI=1S/C10H21N3/c1-7(2)9-10(8(3)4)12(5)13(6)11-9/h7-8,11H,1-6H3
InChIKeyZMPWAPWOOZGEBF-UHFFFAOYSA-N
XLogP1.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole?
The IUPAC name of 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole (CID 58709420) is 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole.
What is the SMILES notation for 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole?
The canonical SMILES for 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole is CC(C)C1=C(C(C)C)N(C)N(C)N1.
What is the InChIKey of 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole?
The InChIKey is ZMPWAPWOOZGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-7(2)9-10(8(3)4)12(5)13(6)11-9/h7-8,11H,1-6H3.
What are the key properties of 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole?
2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole has a molecular weight of 183.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5-di(propan-2-yl)-1H-triazole is sourced from PubChem (CID 58709420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).