1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea

C6H10FN5O — CID 130693032

IUPAC1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCn1ncnc1NC(=O)NCCF
InChIInChI=1S/C6H10FN5O/c1-12-5(9-4-10-12)11-6(13)8-3-2-7/h4H,2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyRPQRNVCCOYFYBX-UHFFFAOYSA-N
MW187.18 g/mol
LogP-0.09
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea

1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 130693032) has the molecular formula C6H10FN5O and a molecular weight of 187.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID130693032
Molecular FormulaC6H10FN5O
Molecular Weight187.18 g/mol
Exact Mass187.09
IUPAC Name1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCn1ncnc1NC(=O)NCCF
InChIInChI=1S/C6H10FN5O/c1-12-5(9-4-10-12)11-6(13)8-3-2-7/h4H,2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyRPQRNVCCOYFYBX-UHFFFAOYSA-N
XLogP-0.09
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-butyl-1,2,4-triazole-1-carboxamide
CID 137644289
1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea
CID 282308
N-butyl-1,2,4-triazole-1-carboxamide
CID 44306069
N-Isopropyl-1H-1,2,4-triazole-1-carboxamide
CID 44306070
N-Propyl-1H-1,2,4-triazole-1-carboxamide
CID 44306088
1-Ethyl-3-(1h-1,2,4-triazol-5-yl)urea
CID 282307
1-(1H-1,2,4-triazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116013235
5-Amino-n-(2-chloroethyl)-1h-1,2,4-triazole-1-carboxamide
CID 286340
1,1-Dimethyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 20501564
1-Methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]urea
CID 23548389
1-Methyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 54376791
1-propyl-3-(1H-1,2,4-triazol-5-yl)urea
CID 57817493

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 130693032) is 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea is Cn1ncnc1NC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is RPQRNVCCOYFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN5O/c1-12-5(9-4-10-12)11-6(13)8-3-2-7/h4H,2-3H2,1H3,(H2,8,9,10,11,13).
What are the key properties of 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 187.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 130693032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).