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

C14H25N5O — CID 75483889

IUPAC1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCC(CCC1CCCC1)NC(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H25N5O/c1-10(7-8-12-5-3-4-6-12)17-14(20)18-11(2)13-15-9-16-19-13/h9-12H,3-8H2,1-2H3,(H,15,16,19)(H2,17,18,20)
InChIKeyMTUDGTLYQHGNKZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.52
Rot. Bonds6

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

1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 75483889) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID75483889
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCC(CCC1CCCC1)NC(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H25N5O/c1-10(7-8-12-5-3-4-6-12)17-14(20)18-11(2)13-15-9-16-19-13/h9-12H,3-8H2,1-2H3,(H,15,16,19)(H2,17,18,20)
InChIKeyMTUDGTLYQHGNKZ-UHFFFAOYSA-N
XLogP2.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 75483889) is 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is CC(CCC1CCCC1)NC(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is MTUDGTLYQHGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(7-8-12-5-3-4-6-12)17-14(20)18-11(2)13-15-9-16-19-13/h9-12H,3-8H2,1-2H3,(H,15,16,19)(H2,17,18,20).
What are the key properties of 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 279.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 75483889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).