1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C12H15N5O — CID 75397667

IUPAC1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C12H15N5O/c1-8-3-5-10(6-4-8)16-12(18)15-9(2)11-13-7-14-17-11/h3-7,9H,1-2H3,(H,13,14,17)(H2,15,16,18)
InChIKeyFRMAWRNTUBJEOV-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.00
Rot. Bonds3

About 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 75397667) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID75397667
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C12H15N5O/c1-8-3-5-10(6-4-8)16-12(18)15-9(2)11-13-7-14-17-11/h3-7,9H,1-2H3,(H,13,14,17)(H2,15,16,18)
InChIKeyFRMAWRNTUBJEOV-UHFFFAOYSA-N
XLogP2.00
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)aniline
CID 22493236
N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741078
1-[(1R)-1-phenylethyl]-3-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]urea;dihydrochloride
CID 168290234
[(4-methylphenyl)amino]-N-(1,2,4-triazol-4-yl)carboxamide
CID 4243595
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
4-(4H-1,2,4-triazol-3-yl)aniline
CID 3052732
1H-1,2,4-Triazole, 5-(p-ureidophenyl)-
CID 198831
1H-1,2,4-Triazole-3-sulfonamide, 5-(4-(3-ethylureido)phenyl)-
CID 199768
N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 6497089
N-(4-methylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 39890547
1-[(4-methylphenyl)amino]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentanecarboxamide
CID 46984312

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 75397667) is 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is Cc1ccc(NC(=O)NC(C)c2ncn[nH]2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is FRMAWRNTUBJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-3-5-10(6-4-8)16-12(18)15-9(2)11-13-7-14-17-11/h3-7,9H,1-2H3,(H,13,14,17)(H2,15,16,18).
What are the key properties of 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 245.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 75397667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).