1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

C11H15N5O — CID 106393321

IUPAC1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ncon1
InChIInChI=1S/C11H15N5O/c1-16-10-4-2-3-9(8(10)5-14-16)12-6-11-13-7-17-15-11/h5,7,9,12H,2-4,6H2,1H3
InChIKeyLCHNLOBIUWZGBF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.97
Rot. Bonds3

About 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 106393321) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID106393321
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ncon1
InChIInChI=1S/C11H15N5O/c1-16-10-4-2-3-9(8(10)5-14-16)12-6-11-13-7-17-15-11/h5,7,9,12H,2-4,6H2,1H3
InChIKeyLCHNLOBIUWZGBF-UHFFFAOYSA-N
XLogP0.97
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103906992
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 106391848
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95575479
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 47350095
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628
N-[(5-bromothiophen-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435382

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 106393321) is 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1ncon1.
What is the InChIKey of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is LCHNLOBIUWZGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-10-4-2-3-9(8(10)5-14-16)12-6-11-13-7-17-15-11/h5,7,9,12H,2-4,6H2,1H3.
What are the key properties of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 106393321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).