1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea

C14H23N5O2 — CID 71892945

IUPAC1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)c1nncn1C
InChIInChI=1S/C14H23N5O2/c1-10(13-17-15-9-18(13)2)16-14(20)19(12-3-4-12)7-11-5-6-21-8-11/h9-12H,3-8H2,1-2H3,(H,16,20)
InChIKeyQUGYAQNQRQNGEZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.09
Rot. Bonds5

About 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 71892945) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID71892945
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)c1nncn1C
InChIInChI=1S/C14H23N5O2/c1-10(13-17-15-9-18(13)2)16-14(20)19(12-3-4-12)7-11-5-6-21-8-11/h9-12H,3-8H2,1-2H3,(H,16,20)
InChIKeyQUGYAQNQRQNGEZ-UHFFFAOYSA-N
XLogP1.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-Cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
CID 138674661
1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083696
1-(3-Methylbutyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53505222
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71893460
1-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981454
1-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propyl]-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]urea
CID 128410511
N-{[1-cyclohexyl-3-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-5-yl]methyl}urea
CID 74240676
1-[3-(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
CID 135368467
1-[3-(5-Cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyloxan-4-yl)urea
CID 135368632
1-[3-(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyloxan-4-yl)urea
CID 138674663

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea (CID 71892945) is 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea is CC(NC(=O)N(CC1CCOC1)C1CC1)c1nncn1C.
What is the InChIKey of 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is QUGYAQNQRQNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(13-17-15-9-18(13)2)16-14(20)19(12-3-4-12)7-11-5-6-21-8-11/h9-12H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 71892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).