1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea

C17H26N6O2 — CID 75452762

IUPAC1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea
SMILESCC(C)N(CCN(C)C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1
InChIInChI=1S/C17H26N6O2/c1-13(2)22(11-10-20(3)4)16(24)19-14-6-8-15(9-7-14)23-17(25)21(5)12-18-23/h6-9,12-13H,10-11H2,1-5H3,(H,19,24)
InChIKeyJULIAVZCYIWDCZ-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.37
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea

1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea (PubChem CID 75452762) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea
PubChem CID75452762
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea
SMILESCC(C)N(CCN(C)C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1
InChIInChI=1S/C17H26N6O2/c1-13(2)22(11-10-20(3)4)16(24)19-14-6-8-15(9-7-14)23-17(25)21(5)12-18-23/h6-9,12-13H,10-11H2,1-5H3,(H,19,24)
InChIKeyJULIAVZCYIWDCZ-UHFFFAOYSA-N
XLogP1.37
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,7H)-dione
CID 137647102
8-Amino-6-methyl-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137658051
Urea, N,N''-1,4-phenylenebis[N',N'-diethyl-
CID 117003
Urea, N-(4-aminophenyl)-N'-((ethylamino)iminomethyl)-, dihydrochloride
CID 135599714
3-amino-1-methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
CID 79006248
1-(2-fluorophenyl)-3-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)urea
CID 71793298
5-[(phenylamino)methyl]-2-propyl-1,2-dihydro-3H-1,2,4-triazol-3-one
CID 135658261
2-(3-methylbutyl)-5-[(phenylamino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
CID 135658782
2-Phenyl-2,4-dihydro-[1,2,4]triazol-3-one
CID 135537082
1-(2-Aminobutyl)-4-phenyltetrazol-5-one
CID 23607800
N-[4-(Dimethylamino)phenyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-2-YL}acetamide
CID 75526892
N-[4-(Dimethylamino)phenyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-2-YL}acetamide
CID 91906296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea (CID 75452762) is 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea is CC(C)N(CCN(C)C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea?
The InChIKey is JULIAVZCYIWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13(2)22(11-10-20(3)4)16(24)19-14-6-8-15(9-7-14)23-17(25)21(5)12-18-23/h6-9,12-13H,10-11H2,1-5H3,(H,19,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea?
1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea has a molecular weight of 346.44 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea is sourced from PubChem (CID 75452762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).