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

C11H17N5 — CID 61349380

IUPAC5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
SMILESCc1nn(C)c(C)c1-c1n[nH]c(C(C)C)n1
InChIInChI=1S/C11H17N5/c1-6(2)10-12-11(14-13-10)9-7(3)15-16(5)8(9)4/h6H,1-5H3,(H,12,13,14)
InChIKeyILQDUDWIKXTRTH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.95
Rot. Bonds2

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

5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole (PubChem CID 61349380) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
PubChem CID61349380
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
SMILESCc1nn(C)c(C)c1-c1n[nH]c(C(C)C)n1
InChIInChI=1S/C11H17N5/c1-6(2)10-12-11(14-13-10)9-7(3)15-16(5)8(9)4/h6H,1-5H3,(H,12,13,14)
InChIKeyILQDUDWIKXTRTH-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole (CID 61349380) is 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole is Cc1nn(C)c(C)c1-c1n[nH]c(C(C)C)n1.
What is the InChIKey of 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
The InChIKey is ILQDUDWIKXTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-6(2)10-12-11(14-13-10)9-7(3)15-16(5)8(9)4/h6H,1-5H3,(H,12,13,14).
What are the key properties of 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61349380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).