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

C14H20N6O — CID 146075662

IUPAC1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea
SMILESCN(C)CCNC(=O)NCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-20(2)9-8-15-14(21)16-10-12-17-13(19-18-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,15,16,21)(H,17,18,19)
InChIKeyTXUUCVSQMVHNGL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.83
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea (PubChem CID 146075662) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea
PubChem CID146075662
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea
SMILESCN(C)CCNC(=O)NCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-20(2)9-8-15-14(21)16-10-12-17-13(19-18-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,15,16,21)(H,17,18,19)
InChIKeyTXUUCVSQMVHNGL-UHFFFAOYSA-N
XLogP0.83
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
CID 77083716
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
4-amino-N-[[3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569650
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea
CID 127266866
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
methyl 2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 90651139
2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 126463862
4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61352792

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea (CID 146075662) is 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea is CN(C)CCNC(=O)NCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea?
The InChIKey is TXUUCVSQMVHNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-20(2)9-8-15-14(21)16-10-12-17-13(19-18-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,15,16,21)(H,17,18,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea?
1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea has a molecular weight of 288.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea is sourced from PubChem (CID 146075662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).