1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole

C9H14N6 — CID 162461311

IUPAC1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
SMILESCC(C)(C)C(n1cncn1)n1cncn1
InChIInChI=1S/C9H14N6/c1-9(2,3)8(14-6-10-4-12-14)15-7-11-5-13-15/h4-8H,1-3H3
InChIKeyPHBFZBIUQWOBIU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.96
Rot. Bonds2

About 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole

1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole (PubChem CID 162461311) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
PubChem CID162461311
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
SMILESCC(C)(C)C(n1cncn1)n1cncn1
InChIInChI=1S/C9H14N6/c1-9(2,3)8(14-6-10-4-12-14)15-7-11-5-13-15/h4-8H,1-3H3
InChIKeyPHBFZBIUQWOBIU-UHFFFAOYSA-N
XLogP0.96
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-N',N'-bis(1,2,4-triazol-1-ylmethyl)propane-1,3-diamine
CID 54576747
1-Propyl-1H-1,2,4-triazole
CID 13568501
1,2-Di(1H-1,2,4-triazol-1-yl)ethane
CID 683665
1,3-Di(1H-1,2,4-triazole-1-yl)propane
CID 15877518
1,1'-(1,4-Butanediyl)bis(1H-1,2,4-triazole)
CID 15877519
1,6-di(1H-1,2,4-triazol-1-yl)hexane
CID 85896920
1-[10-(1,2,4-Triazol-1-yl)decyl]-1,2,4-triazole
CID 85851448
1-[4-(1,2,4-Triazol-4-yl)butyl]tetrazole
CID 134855520
1-[3-(1,2,4-Triazol-4-yl)propyl]tetrazole
CID 134971469
Bqrjeqicvjyagg-xnwczrbmsa-
CID 13133628
1-[1-(1,2,4-Triazol-1-yl)butyl]-1,2,4-triazole
CID 3746523
1-[1-(1H-1,2,4-Triazol-1-yl)propyl]-1H-1,2,4-triazole
CID 3785566

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole (CID 162461311) is 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole is CC(C)(C)C(n1cncn1)n1cncn1.
What is the InChIKey of 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The InChIKey is PHBFZBIUQWOBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-9(2,3)8(14-6-10-4-12-14)15-7-11-5-13-15/h4-8H,1-3H3.
What are the key properties of 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole has a molecular weight of 206.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 162461311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).