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

C17H29N5O — CID 71856876

IUPAC1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCn1ncnc1CCNC(=O)NC(C1CCCC1)C1CCCC1
InChIInChI=1S/C17H29N5O/c1-22-15(19-12-20-22)10-11-18-17(23)21-16(13-6-2-3-7-13)14-8-4-5-9-14/h12-14,16H,2-11H2,1H3,(H2,18,21,23)
InChIKeyZAUFOVXSRQMVLR-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.41
Rot. Bonds6

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

1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 71856876) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID71856876
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCn1ncnc1CCNC(=O)NC(C1CCCC1)C1CCCC1
InChIInChI=1S/C17H29N5O/c1-22-15(19-12-20-22)10-11-18-17(23)21-16(13-6-2-3-7-13)14-8-4-5-9-14/h12-14,16H,2-11H2,1H3,(H2,18,21,23)
InChIKeyZAUFOVXSRQMVLR-UHFFFAOYSA-N
XLogP2.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-3-[(4-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine-1-carboxamide
CID 110203887
1-(3,5-Dimethylcyclohexyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71989898
3-(Dicyclopentylmethyl)-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 72114243
1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75483889
(3R)-N-cyclopentyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 164635592
(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 164638747
N-cyclopentyl-N'-({1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl}methyl)urea
CID 56741878
3-(Dicyclopentylmethyl)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylurea
CID 71868214
1-(2-Methylcyclohexyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51083491
1-[[1-(Dimethylamino)cycloheptyl]methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53505314
N-(3-methylcyclohexyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53518510
N-(cyclopentylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53595293

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 71856876) is 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea is Cn1ncnc1CCNC(=O)NC(C1CCCC1)C1CCCC1.
What is the InChIKey of 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is ZAUFOVXSRQMVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-22-15(19-12-20-22)10-11-18-17(23)21-16(13-6-2-3-7-13)14-8-4-5-9-14/h12-14,16H,2-11H2,1H3,(H2,18,21,23).
What are the key properties of 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopentylmethyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 71856876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).