N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine

C15H21N3O2 — CID 70988969

IUPACN-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine
SMILESCCCCC(Nc1ccc2[nH]ncc2c1)C1OC(C)O1
InChIInChI=1S/C15H21N3O2/c1-3-4-5-14(15-19-10(2)20-15)17-12-6-7-13-11(8-12)9-16-18-13/h6-10,14-15,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyAKLOZKQDCAIFCU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.25
Rot. Bonds6

About N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine

N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine (PubChem CID 70988969) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine
PubChem CID70988969
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine
SMILESCCCCC(Nc1ccc2[nH]ncc2c1)C1OC(C)O1
InChIInChI=1S/C15H21N3O2/c1-3-4-5-14(15-19-10(2)20-15)17-12-6-7-13-11(8-12)9-16-18-13/h6-10,14-15,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyAKLOZKQDCAIFCU-UHFFFAOYSA-N
XLogP3.25
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1H-indazol-5-yl)hexane-1,2-diamine
CID 67337922
N-[(2R)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
CID 99785141
N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
CID 99785140
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
CID 75516896
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
3-N-(1H-indazol-5-yl)-1-N-(4-methylsulfonylphenyl)hexane-1,3-diamine
CID 143370535
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
5-dodecyl-1H-indazole
CID 67799721
N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
CID 43782693
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1H-indazol-5-amine
CID 103932201

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine (CID 70988969) is N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine is CCCCC(Nc1ccc2[nH]ncc2c1)C1OC(C)O1.
What is the InChIKey of N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine?
The InChIKey is AKLOZKQDCAIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-4-5-14(15-19-10(2)20-15)17-12-6-7-13-11(8-12)9-16-18-13/h6-10,14-15,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine?
N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine has a molecular weight of 275.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine is sourced from PubChem (CID 70988969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).