N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine

C13H17N3O — CID 80713493

IUPACN-[(1-methylindazol-3-yl)methyl]oxolan-3-amine
SMILESCn1nc(CNC2CCOC2)c2ccccc21
InChIInChI=1S/C13H17N3O/c1-16-13-5-3-2-4-11(13)12(15-16)8-14-10-6-7-17-9-10/h2-5,10,14H,6-9H2,1H3
InChIKeyBICQWZJKXAHVGS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds3

About N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine

N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine (PubChem CID 80713493) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]oxolan-3-amine
PubChem CID80713493
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(1-methylindazol-3-yl)methyl]oxolan-3-amine
SMILESCn1nc(CNC2CCOC2)c2ccccc21
InChIInChI=1S/C13H17N3O/c1-16-13-5-3-2-4-11(13)12(15-16)8-14-10-6-7-17-9-10/h2-5,10,14H,6-9H2,1H3
InChIKeyBICQWZJKXAHVGS-UHFFFAOYSA-N
XLogP1.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
CID 113256963
1-methyl-N-[(1-methylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 63378842
N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63000865
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
CID 106469419
N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701231
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166268035
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509
N-[(1-methylindazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 63000817

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine (CID 80713493) is N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine is Cn1nc(CNC2CCOC2)c2ccccc21.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is BICQWZJKXAHVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-13-5-3-2-4-11(13)12(15-16)8-14-10-6-7-17-9-10/h2-5,10,14H,6-9H2,1H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine?
N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 231.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 80713493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).