1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C12H19N7O — CID 71894757

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCCn1cnnc1CNC(=O)NC(C)Cn1cccn1
InChIInChI=1S/C12H19N7O/c1-3-18-9-14-17-11(18)7-13-12(20)16-10(2)8-19-6-4-5-15-19/h4-6,9-10H,3,7-8H2,1-2H3,(H2,13,16,20)
InChIKeyDYFHSCJELNYNJL-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.38
Rot. Bonds6

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 71894757) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID71894757
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCCn1cnnc1CNC(=O)NC(C)Cn1cccn1
InChIInChI=1S/C12H19N7O/c1-3-18-9-14-17-11(18)7-13-12(20)16-10(2)8-19-6-4-5-15-19/h4-6,9-10H,3,7-8H2,1-2H3,(H2,13,16,20)
InChIKeyDYFHSCJELNYNJL-UHFFFAOYSA-N
XLogP0.38
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 71894757) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is CCn1cnnc1CNC(=O)NC(C)Cn1cccn1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is DYFHSCJELNYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-3-18-9-14-17-11(18)7-13-12(20)16-10(2)8-19-6-4-5-15-19/h4-6,9-10H,3,7-8H2,1-2H3,(H2,13,16,20).
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 277.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 71894757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).