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

C13H19N7O — CID 138025385

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
SMILESCc1nc(NC(=O)NCc2cc(C3CC3)n(C)n2)nn1C
InChIInChI=1S/C13H19N7O/c1-8-15-12(18-19(8)2)16-13(21)14-7-10-6-11(9-4-5-9)20(3)17-10/h6,9H,4-5,7H2,1-3H3,(H2,14,16,18,21)
InChIKeyYEBOXVSGIKVCRO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.06
Rot. Bonds4

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

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea (PubChem CID 138025385) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
PubChem CID138025385
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
SMILESCc1nc(NC(=O)NCc2cc(C3CC3)n(C)n2)nn1C
InChIInChI=1S/C13H19N7O/c1-8-15-12(18-19(8)2)16-13(21)14-7-10-6-11(9-4-5-9)20(3)17-10/h6,9H,4-5,7H2,1-3H3,(H2,14,16,18,21)
InChIKeyYEBOXVSGIKVCRO-UHFFFAOYSA-N
XLogP1.06
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea (CID 138025385) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea is Cc1nc(NC(=O)NCc2cc(C3CC3)n(C)n2)nn1C.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
The InChIKey is YEBOXVSGIKVCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-8-15-12(18-19(8)2)16-13(21)14-7-10-6-11(9-4-5-9)20(3)17-10/h6,9H,4-5,7H2,1-3H3,(H2,14,16,18,21).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 138025385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).