5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole

C11H17N5 — CID 174154504

IUPAC5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
SMILESCC(C)c1ncc(CC(C)c2ncn[nH]2)[nH]1
InChIInChI=1S/C11H17N5/c1-7(2)10-12-5-9(15-10)4-8(3)11-13-6-14-16-11/h5-8H,4H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyUDFZAFZEDKHHBT-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.00
Rot. Bonds4

About 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole

5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole (PubChem CID 174154504) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
PubChem CID174154504
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
SMILESCC(C)c1ncc(CC(C)c2ncn[nH]2)[nH]1
InChIInChI=1S/C11H17N5/c1-7(2)10-12-5-9(15-10)4-8(3)11-13-6-14-16-11/h5-8H,4H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyUDFZAFZEDKHHBT-UHFFFAOYSA-N
XLogP2.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine
CID 84766825
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
CID 116876985
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
5-fluoro-2-propan-2-yl-1H-imidazole
CID 146392910
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106282694

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole (CID 174154504) is 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole is CC(C)c1ncc(CC(C)c2ncn[nH]2)[nH]1.
What is the InChIKey of 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole?
The InChIKey is UDFZAFZEDKHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(2)10-12-5-9(15-10)4-8(3)11-13-6-14-16-11/h5-8H,4H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole?
5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 174154504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).