N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine

C10H13N3O — CID 143994191

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine
SMILESCc1nnc(CNC2=CCCC=C2)o1
InChIInChI=1S/C10H13N3O/c1-8-12-13-10(14-8)7-11-9-5-3-2-4-6-9/h3,5-6,11H,2,4,7H2,1H3
InChIKeyFRHOVEKJBVIQHH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.70
Rot. Bonds3

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine (PubChem CID 143994191) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine
PubChem CID143994191
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine
SMILESCc1nnc(CNC2=CCCC=C2)o1
InChIInChI=1S/C10H13N3O/c1-8-12-13-10(14-8)7-11-9-5-3-2-4-6-9/h3,5-6,11H,2,4,7H2,1H3
InChIKeyFRHOVEKJBVIQHH-UHFFFAOYSA-N
XLogP1.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine (CID 143994191) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine is Cc1nnc(CNC2=CCCC=C2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is FRHOVEKJBVIQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-12-13-10(14-8)7-11-9-5-3-2-4-6-9/h3,5-6,11H,2,4,7H2,1H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 191.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143994191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).