1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C10H19N5O2 — CID 99640495

IUPAC1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(C)CONC(=O)N[C@H](C)c1nncn1C
InChIInChI=1S/C10H19N5O2/c1-7(2)5-17-14-10(16)12-8(3)9-13-11-6-15(9)4/h6-8H,5H2,1-4H3,(H2,12,14,16)/t8-/m1/s1
InChIKeySXRWUEPCRSCJDS-MRVPVSSYSA-N
MW241.29 g/mol
LogP0.76
Rot. Bonds5

About 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 99640495) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID99640495
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(C)CONC(=O)N[C@H](C)c1nncn1C
InChIInChI=1S/C10H19N5O2/c1-7(2)5-17-14-10(16)12-8(3)9-13-11-6-15(9)4/h6-8H,5H2,1-4H3,(H2,12,14,16)/t8-/m1/s1
InChIKeySXRWUEPCRSCJDS-MRVPVSSYSA-N
XLogP0.76
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 62119604
2-hydroxy-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 66165937
1-[4-(aminomethyl)phenyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 62118708
1-[(2R)-2-(dimethylamino)-4-methylpentyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95573499
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
2-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 62119598
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
2-[[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62117206

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 99640495) is 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CC(C)CONC(=O)N[C@H](C)c1nncn1C.
What is the InChIKey of 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is SXRWUEPCRSCJDS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(2)5-17-14-10(16)12-8(3)9-13-11-6-15(9)4/h6-8H,5H2,1-4H3,(H2,12,14,16)/t8-/m1/s1.
What are the key properties of 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 241.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 99640495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).