5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole

C7H10F3N3 — CID 69382496

IUPAC5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
SMILESCc1c(C(F)(F)F)nnn1C(C)C
InChIInChI=1S/C7H10F3N3/c1-4(2)13-5(3)6(11-12-13)7(8,9)10/h4H,1-3H3
InChIKeyWZYDRFFQZDBGRP-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.19
Rot. Bonds1

About 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole

5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole (PubChem CID 69382496) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
PubChem CID69382496
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
SMILESCc1c(C(F)(F)F)nnn1C(C)C
InChIInChI=1S/C7H10F3N3/c1-4(2)13-5(3)6(11-12-13)7(8,9)10/h4H,1-3H3
InChIKeyWZYDRFFQZDBGRP-UHFFFAOYSA-N
XLogP2.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5-Trimethyltriazole
CID 12247338
4,5-Dimethyl-1-propan-2-yltriazole
CID 13718122
1-Methyl-4,5-bis(trifluoromethyl)triazole
CID 14489365
1,4-Dimethyl-5-(trifluoromethyl)triazole
CID 20719662
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
1-Butyl-4-fluoro-5-(trifluoromethyl)triazole
CID 69381703
3-Ethyl-5-(trifluoromethyl)triazole-4-carbonitrile
CID 69381821
1-Butyl-5-(trifluoromethyl)triazole-4-carbonitrile
CID 69381863
4-Ethyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382183
1-Hexyl-5-methyl-4-(trifluoromethyl)triazole
CID 69382456
3-Butyl-5-(trifluoromethyl)triazole-4-carbonitrile
CID 69382499
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382511

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole?
The IUPAC name of 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole (CID 69382496) is 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole is Cc1c(C(F)(F)F)nnn1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole?
The InChIKey is WZYDRFFQZDBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(2)13-5(3)6(11-12-13)7(8,9)10/h4H,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole?
5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole has a molecular weight of 193.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69382496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).