2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile

C14H16N6O — CID 84759169

IUPAC2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile
SMILESN#CCn1nnnc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C14H16N6O/c15-4-5-20-14(16-17-18-20)13-3-1-2-12(10-13)11-19-6-8-21-9-7-19/h1-3,10H,5-9,11H2
InChIKeyOUKVZAWGPPVICN-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.70
Rot. Bonds4

About 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile

2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile (PubChem CID 84759169) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile
PubChem CID84759169
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile
SMILESN#CCn1nnnc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C14H16N6O/c15-4-5-20-14(16-17-18-20)13-3-1-2-12(10-13)11-19-6-8-21-9-7-19/h1-3,10H,5-9,11H2
InChIKeyOUKVZAWGPPVICN-UHFFFAOYSA-N
XLogP0.70
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline
CID 82228482
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
CID 162443136
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74244355
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile (CID 84759169) is 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile is N#CCn1nnnc1-c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile?
The InChIKey is OUKVZAWGPPVICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-4-5-20-14(16-17-18-20)13-3-1-2-12(10-13)11-19-6-8-21-9-7-19/h1-3,10H,5-9,11H2.
What are the key properties of 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile?
2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile is sourced from PubChem (CID 84759169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).