1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C15H23N7O — CID 94119947

IUPAC1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N[C@H](C)c2nncn2C)cn1
InChIInChI=1S/C15H23N7O/c1-5-22(6-2)13-8-7-12(9-16-13)19-15(23)18-11(3)14-20-17-10-21(14)4/h7-11H,5-6H2,1-4H3,(H2,18,19,23)/t11-/m1/s1
InChIKeyIBKBHGQGVXFRKY-LLVKDONJSA-N
MW317.40 g/mol
LogP1.94
Rot. Bonds6

About 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 94119947) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID94119947
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N[C@H](C)c2nncn2C)cn1
InChIInChI=1S/C15H23N7O/c1-5-22(6-2)13-8-7-12(9-16-13)19-15(23)18-11(3)14-20-17-10-21(14)4/h7-11H,5-6H2,1-4H3,(H2,18,19,23)/t11-/m1/s1
InChIKeyIBKBHGQGVXFRKY-LLVKDONJSA-N
XLogP1.94
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[4-(aminomethyl)phenyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 62118708
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104640412
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
5-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104642269
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
CID 47041050
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 99640495

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 94119947) is 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CCN(CC)c1ccc(NC(=O)N[C@H](C)c2nncn2C)cn1.
What is the InChIKey of 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is IBKBHGQGVXFRKY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N7O/c1-5-22(6-2)13-8-7-12(9-16-13)19-15(23)18-11(3)14-20-17-10-21(14)4/h7-11H,5-6H2,1-4H3,(H2,18,19,23)/t11-/m1/s1.
What are the key properties of 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 317.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 94119947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).