1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

C10H14F3N5O — CID 86792323

IUPAC1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nnc(CNC(=O)NCC(F)(F)F)n1C1CC1
InChIInChI=1S/C10H14F3N5O/c1-6-16-17-8(18(6)7-2-3-7)4-14-9(19)15-5-10(11,12)13/h7H,2-5H2,1H3,(H2,14,15,19)
InChIKeyGFKCQRMDMUHRTO-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.28
Rot. Bonds4

About 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 86792323) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID86792323
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nnc(CNC(=O)NCC(F)(F)F)n1C1CC1
InChIInChI=1S/C10H14F3N5O/c1-6-16-17-8(18(6)7-2-3-7)4-14-9(19)15-5-10(11,12)13/h7H,2-5H2,1H3,(H2,14,15,19)
InChIKeyGFKCQRMDMUHRTO-UHFFFAOYSA-N
XLogP1.28
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 86792323) is 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is Cc1nnc(CNC(=O)NCC(F)(F)F)n1C1CC1.
What is the InChIKey of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GFKCQRMDMUHRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-6-16-17-8(18(6)7-2-3-7)4-14-9(19)15-5-10(11,12)13/h7H,2-5H2,1H3,(H2,14,15,19).
What are the key properties of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 277.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 86792323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).