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

C12H17N5O — CID 106391848

IUPAC1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nc(CNC2CCCc3c2cnn3C)no1
InChIInChI=1S/C12H17N5O/c1-8-15-12(16-18-8)7-13-10-4-3-5-11-9(10)6-14-17(11)2/h6,10,13H,3-5,7H2,1-2H3
InChIKeyKTOVZOVLUZJKIQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.28
Rot. Bonds3

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

1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 106391848) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID106391848
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nc(CNC2CCCc3c2cnn3C)no1
InChIInChI=1S/C12H17N5O/c1-8-15-12(16-18-8)7-13-10-4-3-5-11-9(10)6-14-17(11)2/h6,10,13H,3-5,7H2,1-2H3
InChIKeyKTOVZOVLUZJKIQ-UHFFFAOYSA-N
XLogP1.28
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 106393321
1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103906992
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
1-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 79082528
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
N-[(5-bromothiophen-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435382
N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435422

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 106391848) is 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1nc(CNC2CCCc3c2cnn3C)no1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KTOVZOVLUZJKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-15-12(16-18-8)7-13-10-4-3-5-11-9(10)6-14-17(11)2/h6,10,13H,3-5,7H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 106391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).