1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea

C14H25N5O2 — CID 125441931

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCCn1cnnc1[C@@H](C)NC(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H25N5O2/c1-3-8-19-10-15-18-12(19)11(2)16-13(21)17-14(9-20)6-4-5-7-14/h10-11,20H,3-9H2,1-2H3,(H2,16,17,21)/t11-/m1/s1
InChIKeyNTJQKKIJIXPCQE-LLVKDONJSA-N
MW295.39 g/mol
LogP1.35
Rot. Bonds6

About 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea

1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 125441931) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID125441931
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCCn1cnnc1[C@@H](C)NC(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H25N5O2/c1-3-8-19-10-15-18-12(19)11(2)16-13(21)17-14(9-20)6-4-5-7-14/h10-11,20H,3-9H2,1-2H3,(H2,16,17,21)/t11-/m1/s1
InChIKeyNTJQKKIJIXPCQE-LLVKDONJSA-N
XLogP1.35
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 97208055
4,5-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrol-1-ylthiophene-3-carboxamide
CID 125161928
2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106303744
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 124757879
N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 131899476
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
2,6-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95129499
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941712
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea (CID 125441931) is 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea is CCCn1cnnc1[C@@H](C)NC(=O)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is NTJQKKIJIXPCQE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-8-19-10-15-18-12(19)11(2)16-13(21)17-14(9-20)6-4-5-7-14/h10-11,20H,3-9H2,1-2H3,(H2,16,17,21)/t11-/m1/s1.
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 295.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 125441931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).