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

C15H18FN5O — CID 138053364

IUPAC1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCc2ccc(C3CC3)cc2F)n[nH]1
InChIInChI=1S/C15H18FN5O/c1-9-19-14(21-20-9)8-18-15(22)17-7-12-5-4-11(6-13(12)16)10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H2,17,18,22)(H,19,20,21)
InChIKeyRXRNSMNPWFRHLT-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.13
Rot. Bonds5

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

1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 138053364) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
PubChem CID138053364
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCc2ccc(C3CC3)cc2F)n[nH]1
InChIInChI=1S/C15H18FN5O/c1-9-19-14(21-20-9)8-18-15(22)17-7-12-5-4-11(6-13(12)16)10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H2,17,18,22)(H,19,20,21)
InChIKeyRXRNSMNPWFRHLT-UHFFFAOYSA-N
XLogP2.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea with MolForge

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Related Compounds

N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
3-methyl-N-(4-methylbenzyl)-1H-1,2,4-triazol-5-amine
CID 51051703
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 87052071
N-[(3-fluorophenyl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 87052087
N-[(3S,4S)-1-(3,4-difluorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
CID 91921036
N-{rel-(3R,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-3-yl}cyclopropanecarboxamide
CID 91921039
N-{(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[4-(trifluoromethyl)benzyl]hexahydro-3-pyridinyl}-1-cyclopropanecarboxamide
CID 91921065
(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-N-(propan-2-yl)pyrrolidine-1-carboxamide
CID 124071915
1-benzyl-3-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 3232159
2-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 91903859
N-Benzyl-2-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidine-1-carboxamide
CID 91903860
N-Benzyl-3-[(5-cyclopropyl-4H-1,2,4-triazol-3-YL)methyl]pyrrolidine-1-carboxamide
CID 91904932

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea (CID 138053364) is 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NCc2ccc(C3CC3)cc2F)n[nH]1.
What is the InChIKey of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is RXRNSMNPWFRHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-9-19-14(21-20-9)8-18-15(22)17-7-12-5-4-11(6-13(12)16)10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H2,17,18,22)(H,19,20,21).
What are the key properties of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea?
1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 303.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 138053364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).