5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile

C13H13N5O — CID 5323868

IUPAC5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C13H13N5O/c14-10-12-13(17-6-8-19-9-7-17)16-18(15-12)11-4-2-1-3-5-11/h1-5H,6-9H2
InChIKeyVCSSUUCJVDRDOZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.98
Rot. Bonds2

About 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile

5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile (PubChem CID 5323868) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile
PubChem CID5323868
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C13H13N5O/c14-10-12-13(17-6-8-19-9-7-17)16-18(15-12)11-4-2-1-3-5-11/h1-5H,6-9H2
InChIKeyVCSSUUCJVDRDOZ-UHFFFAOYSA-N
XLogP0.98
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 519787
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
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azanylidyneazanium;4-phenylmorpholine;tetrafluoroborate
CID 88684350
2-morpholin-4-ylbenzonitrile
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1-[(4-morpholin-4-ylphenyl)methyl]indazole-3-carbonitrile
CID 167857772
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
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2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 892116
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
(Z)-3-[4-[(E)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]phenyl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
CID 99708009
3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 45270204
4,6-dimorpholin-4-ylpyrimidin-5-amine
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5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile (CID 5323868) is 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile is N#Cc1nn(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile?
The InChIKey is VCSSUUCJVDRDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-10-12-13(17-6-8-19-9-7-17)16-18(15-12)11-4-2-1-3-5-11/h1-5H,6-9H2.
What are the key properties of 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile?
5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-phenyltriazole-4-carbonitrile is sourced from PubChem (CID 5323868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).