N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C10H16N4O — CID 80602288

IUPACN-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCn1cc(CNC2CC3CCC2O3)nn1
InChIInChI=1S/C10H16N4O/c1-14-6-7(12-13-14)5-11-9-4-8-2-3-10(9)15-8/h6,8-11H,2-5H2,1H3
InChIKeyGXYBQNLEVOHEJL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.22
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80602288) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80602288
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCn1cc(CNC2CC3CCC2O3)nn1
InChIInChI=1S/C10H16N4O/c1-14-6-7(12-13-14)5-11-9-4-8-2-3-10(9)15-8/h6,8-11H,2-5H2,1H3
InChIKeyGXYBQNLEVOHEJL-UHFFFAOYSA-N
XLogP0.22
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 83093071
N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 62756684
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720008
N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 55113752
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115331744
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720674
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 82893003
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714698

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80602288) is N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cn1cc(CNC2CC3CCC2O3)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is GXYBQNLEVOHEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-6-7(12-13-14)5-11-9-4-8-2-3-10(9)15-8/h6,8-11H,2-5H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 208.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80602288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).