1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea

C19H25N5O — CID 75378334

IUPAC1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea
SMILESCc1ccccc1C1(CNC(=O)NCCc2nnc3n2CCC3)CC1
InChIInChI=1S/C19H25N5O/c1-14-5-2-3-6-15(14)19(9-10-19)13-21-18(25)20-11-8-17-23-22-16-7-4-12-24(16)17/h2-3,5-6H,4,7-13H2,1H3,(H2,20,21,25)
InChIKeyMUOWDQGYGVMNSN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea

1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea (PubChem CID 75378334) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea
PubChem CID75378334
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea
SMILESCc1ccccc1C1(CNC(=O)NCCc2nnc3n2CCC3)CC1
InChIInChI=1S/C19H25N5O/c1-14-5-2-3-6-15(14)19(9-10-19)13-21-18(25)20-11-8-17-23-22-16-7-4-12-24(16)17/h2-3,5-6H,4,7-13H2,1H3,(H2,20,21,25)
InChIKeyMUOWDQGYGVMNSN-UHFFFAOYSA-N
XLogP2.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea (CID 75378334) is 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea is Cc1ccccc1C1(CNC(=O)NCCc2nnc3n2CCC3)CC1.
What is the InChIKey of 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea?
The InChIKey is MUOWDQGYGVMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-5-2-3-6-15(14)19(9-10-19)13-21-18(25)20-11-8-17-23-22-16-7-4-12-24(16)17/h2-3,5-6H,4,7-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea?
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 75378334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).