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

C8H15N3 — CID 23402777

IUPAC4,5-di(propan-2-yl)-2H-triazole
SMILESCC(C)c1n[nH]nc1C(C)C
InChIInChI=1S/C8H15N3/c1-5(2)7-8(6(3)4)10-11-9-7/h5-6H,1-4H3,(H,9,10,11)
InChIKeyWKMHGMULQSPMJY-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.05
Rot. Bonds2

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

4,5-di(propan-2-yl)-2H-triazole (PubChem CID 23402777) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-2H-triazole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-2H-triazole
PubChem CID23402777
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4,5-di(propan-2-yl)-2H-triazole
SMILESCC(C)c1n[nH]nc1C(C)C
InChIInChI=1S/C8H15N3/c1-5(2)7-8(6(3)4)10-11-9-7/h5-6H,1-4H3,(H,9,10,11)
InChIKeyWKMHGMULQSPMJY-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-2H-triazole?
The IUPAC name of 4,5-di(propan-2-yl)-2H-triazole (CID 23402777) is 4,5-di(propan-2-yl)-2H-triazole.
What is the SMILES notation for 4,5-di(propan-2-yl)-2H-triazole?
The canonical SMILES for 4,5-di(propan-2-yl)-2H-triazole is CC(C)c1n[nH]nc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-2H-triazole?
The InChIKey is WKMHGMULQSPMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5(2)7-8(6(3)4)10-11-9-7/h5-6H,1-4H3,(H,9,10,11).
What are the key properties of 4,5-di(propan-2-yl)-2H-triazole?
4,5-di(propan-2-yl)-2H-triazole has a molecular weight of 153.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-2H-triazole is sourced from PubChem (CID 23402777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).