1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea

C14H26N6O2 — CID 125166052

IUPAC1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
SMILESCCn1cc(NC(=O)NC[C@H]2CCN(CCCOC)C2)nn1
InChIInChI=1S/C14H26N6O2/c1-3-20-11-13(17-18-20)16-14(21)15-9-12-5-7-19(10-12)6-4-8-22-2/h11-12H,3-10H2,1-2H3,(H2,15,16,21)/t12-/m1/s1
InChIKeyMYZTXOLQRSCYDP-GFCCVEGCSA-N
MW310.40 g/mol
LogP0.78
Rot. Bonds8

About 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea

1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 125166052) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
PubChem CID125166052
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
SMILESCCn1cc(NC(=O)NC[C@H]2CCN(CCCOC)C2)nn1
InChIInChI=1S/C14H26N6O2/c1-3-20-11-13(17-18-20)16-14(21)15-9-12-5-7-19(10-12)6-4-8-22-2/h11-12H,3-10H2,1-2H3,(H2,15,16,21)/t12-/m1/s1
InChIKeyMYZTXOLQRSCYDP-GFCCVEGCSA-N
XLogP0.78
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-3-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 97456473
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 97456895
1-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 72885243
1-(2,3-dimethylquinoxalin-6-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 124750057
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea
CID 97444304
1-(1,3-benzothiazol-5-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 97437618
1-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 97437150
6-methoxy-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 125169256
4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 125445471
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea
CID 167973623
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 125166321

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea (CID 125166052) is 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea is CCn1cc(NC(=O)NC[C@H]2CCN(CCCOC)C2)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is MYZTXOLQRSCYDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-3-20-11-13(17-18-20)16-14(21)15-9-12-5-7-19(10-12)6-4-8-22-2/h11-12H,3-10H2,1-2H3,(H2,15,16,21)/t12-/m1/s1.
What are the key properties of 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea?
1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 125166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).