5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole

C10H21N3 — CID 69381625

IUPAC5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole
SMILESCC(C)N1C=NNC1CC(C)(C)C
InChIInChI=1S/C10H21N3/c1-8(2)13-7-11-12-9(13)6-10(3,4)5/h7-9,12H,6H2,1-5H3
InChIKeyUDKIPMIACNACIZ-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.01
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole

5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole (PubChem CID 69381625) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole
PubChem CID69381625
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole
SMILESCC(C)N1C=NNC1CC(C)(C)C
InChIInChI=1S/C10H21N3/c1-8(2)13-7-11-12-9(13)6-10(3,4)5/h7-9,12H,6H2,1-5H3
InChIKeyUDKIPMIACNACIZ-UHFFFAOYSA-N
XLogP2.01
TPSA27.63 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole (CID 69381625) is 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole is CC(C)N1C=NNC1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole?
The InChIKey is UDKIPMIACNACIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(2)13-7-11-12-9(13)6-10(3,4)5/h7-9,12H,6H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole?
5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole has a molecular weight of 183.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-propan-2-yl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69381625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).