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

C16H23N7O2 — CID 71893294

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCC(NC(=O)NCc1ccnc(N2CCOCC2)c1)c1nncn1C
InChIInChI=1S/C16H23N7O2/c1-12(15-21-19-11-22(15)2)20-16(24)18-10-13-3-4-17-14(9-13)23-5-7-25-8-6-23/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,18,20,24)
InChIKeyCCOWPZKPSRJJMM-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.61
Rot. Bonds5

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

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 71893294) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID71893294
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCC(NC(=O)NCc1ccnc(N2CCOCC2)c1)c1nncn1C
InChIInChI=1S/C16H23N7O2/c1-12(15-21-19-11-22(15)2)20-16(24)18-10-13-3-4-17-14(9-13)23-5-7-25-8-6-23/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,18,20,24)
InChIKeyCCOWPZKPSRJJMM-UHFFFAOYSA-N
XLogP0.61
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 95153196
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
(2R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37350981
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
1-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94030429
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 71893294) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is CC(NC(=O)NCc1ccnc(N2CCOCC2)c1)c1nncn1C.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is CCOWPZKPSRJJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-12(15-21-19-11-22(15)2)20-16(24)18-10-13-3-4-17-14(9-13)23-5-7-25-8-6-23/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,18,20,24).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 345.41 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 71893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).