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

C11H19N5O — CID 131960676

IUPAC1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCN(C(=O)NCCc1ncn[nH]1)C1CCCC1
InChIInChI=1S/C11H19N5O/c1-16(9-4-2-3-5-9)11(17)12-7-6-10-13-8-14-15-10/h8-9H,2-7H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyPAFYCQLTKNPXJR-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.93
Rot. Bonds4

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

1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 131960676) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID131960676
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCN(C(=O)NCCc1ncn[nH]1)C1CCCC1
InChIInChI=1S/C11H19N5O/c1-16(9-4-2-3-5-9)11(17)12-7-6-10-13-8-14-15-10/h8-9H,2-7H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyPAFYCQLTKNPXJR-UHFFFAOYSA-N
XLogP0.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea
CID 60593250
2-methyl-3-[methyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]propanoic acid
CID 64530195
2-amino-2-cyclopropyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64532140
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
4-[propan-2-yl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]butanoic acid
CID 64530398

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 131960676) is 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea is CN(C(=O)NCCc1ncn[nH]1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is PAFYCQLTKNPXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(9-4-2-3-5-9)11(17)12-7-6-10-13-8-14-15-10/h8-9H,2-7H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 237.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 131960676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).