[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine

C13H21N3O — CID 105496814

IUPAC[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
SMILESNCc1nn(C2CCOCC2)c2c1CCCC2
InChIInChI=1S/C13H21N3O/c14-9-12-11-3-1-2-4-13(11)16(15-12)10-5-7-17-8-6-10/h10H,1-9,14H2
InChIKeyYYCCVYMAPGZDFC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds2

About [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine

[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine (PubChem CID 105496814) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
PubChem CID105496814
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
SMILESNCc1nn(C2CCOCC2)c2c1CCCC2
InChIInChI=1S/C13H21N3O/c14-9-12-11-3-1-2-4-13(11)16(15-12)10-5-7-17-8-6-10/h10H,1-9,14H2
InChIKeyYYCCVYMAPGZDFC-UHFFFAOYSA-N
XLogP1.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanamine
CID 105498001
(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105498003
[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 105498006
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585
1-(oxan-4-yl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-amine
CID 105480660
[1-(oxan-4-yl)imidazol-4-yl]methanamine
CID 130481927
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105471198
1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 71808441
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 71808401
2-(oxan-4-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105480663
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
CID 115021653

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
The IUPAC name of [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine (CID 105496814) is [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
The canonical SMILES for [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine is NCc1nn(C2CCOCC2)c2c1CCCC2.
What is the InChIKey of [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
The InChIKey is YYCCVYMAPGZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-9-12-11-3-1-2-4-13(11)16(15-12)10-5-7-17-8-6-10/h10H,1-9,14H2.
What are the key properties of [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine?
[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine is sourced from PubChem (CID 105496814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).