(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine

C12H18N4 — CID 139568872

IUPAC(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCN(C)[C@H](CN)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H18N4/c1-16(2)11(7-13)6-9-3-4-12-10(5-9)8-14-15-12/h3-5,8,11H,6-7,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyZIQMOWLTTFMFCB-NSHDSACASA-N
MW218.30 g/mol
LogP0.99
Rot. Bonds4

About (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine

(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 139568872) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID139568872
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCN(C)[C@H](CN)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H18N4/c1-16(2)11(7-13)6-9-3-4-12-10(5-9)8-14-15-12/h3-5,8,11H,6-7,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyZIQMOWLTTFMFCB-NSHDSACASA-N
XLogP0.99
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(1H-indazol-5-yl)propan-2-amine
CID 146673459
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylbutanamide
CID 166025605
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(4-fluorophenyl)butanamide
CID 166025432
(4S)-4-(dimethylamino)-5-(1H-indazol-5-yl)-2-[phenyl-[1-(trifluoromethyl)cyclopropyl]methyl]pentanamide
CID 171054440
5-(methoxymethyl)-1H-indazole
CID 123206066
(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide
CID 166025522
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylbutanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-phenylbutanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;(3R)-3-phenylbutanoic acid
CID 167595555
5-dodecyl-1H-indazole
CID 67799721
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025401
N-[2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 174189229

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 139568872) is (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine is CN(C)[C@H](CN)Cc1ccc2[nH]ncc2c1.
What is the InChIKey of (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is ZIQMOWLTTFMFCB-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N4/c1-16(2)11(7-13)6-9-3-4-12-10(5-9)8-14-15-12/h3-5,8,11H,6-7,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 139568872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).