2-N-(1H-indazol-5-yl)hexane-1,2-diamine

C13H20N4 — CID 67337922

IUPAC2-N-(1H-indazol-5-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H20N4/c1-2-3-4-12(8-14)16-11-5-6-13-10(7-11)9-15-17-13/h5-7,9,12,16H,2-4,8,14H2,1H3,(H,15,17)
InChIKeyMXGDVPGISNZFOM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.49
Rot. Bonds6

About 2-N-(1H-indazol-5-yl)hexane-1,2-diamine

2-N-(1H-indazol-5-yl)hexane-1,2-diamine (PubChem CID 67337922) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-(1H-indazol-5-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-5-yl)hexane-1,2-diamine
PubChem CID67337922
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-N-(1H-indazol-5-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H20N4/c1-2-3-4-12(8-14)16-11-5-6-13-10(7-11)9-15-17-13/h5-7,9,12,16H,2-4,8,14H2,1H3,(H,15,17)
InChIKeyMXGDVPGISNZFOM-UHFFFAOYSA-N
XLogP2.49
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-dioxetan-2-yl)pentyl]-1H-indazol-5-amine
CID 70988969
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
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
N-[(2R)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
CID 99785141
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
CID 99785140
5-dodecyl-1H-indazole
CID 67799721
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
CID 75516896
N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
CID 43782693

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-5-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-(1H-indazol-5-yl)hexane-1,2-diamine (CID 67337922) is 2-N-(1H-indazol-5-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(1H-indazol-5-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(1H-indazol-5-yl)hexane-1,2-diamine is CCCCC(CN)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-N-(1H-indazol-5-yl)hexane-1,2-diamine?
The InChIKey is MXGDVPGISNZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-3-4-12(8-14)16-11-5-6-13-10(7-11)9-15-17-13/h5-7,9,12,16H,2-4,8,14H2,1H3,(H,15,17).
What are the key properties of 2-N-(1H-indazol-5-yl)hexane-1,2-diamine?
2-N-(1H-indazol-5-yl)hexane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-5-yl)hexane-1,2-diamine is sourced from PubChem (CID 67337922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).