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

C14H23N3O — CID 54907070

IUPAC1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCC1CCCOC1
InChIInChI=1S/C14H23N3O/c1-17-14-6-2-5-13(12(14)9-16-17)15-8-11-4-3-7-18-10-11/h9,11,13,15H,2-8,10H2,1H3
InChIKeyNPCYDHADNOWWFA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds3

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

1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 54907070) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID54907070
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCC1CCCOC1
InChIInChI=1S/C14H23N3O/c1-17-14-6-2-5-13(12(14)9-16-17)15-8-11-4-3-7-18-10-11/h9,11,13,15H,2-8,10H2,1H3
InChIKeyNPCYDHADNOWWFA-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82834722
1-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 79082528
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381
N-[(1,1-dioxothiolan-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 54915682
(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905513
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
(4S)-1-methyl-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905221

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 54907070) is 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCC1CCCOC1.
What is the InChIKey of 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is NPCYDHADNOWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17-14-6-2-5-13(12(14)9-16-17)15-8-11-4-3-7-18-10-11/h9,11,13,15H,2-8,10H2,1H3.
What are the key properties of 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 54907070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).