1-(1H-indazol-5-yl)propane-1,3-diamine

C10H14N4 — CID 22934094

IUPAC1-(1H-indazol-5-yl)propane-1,3-diamine
SMILESNCCC(N)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H14N4/c11-4-3-9(12)7-1-2-10-8(5-7)6-13-14-10/h1-2,5-6,9H,3-4,11-12H2,(H,13,14)
InChIKeyYNGLJCMWERIJAV-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.91
Rot. Bonds3

About 1-(1H-indazol-5-yl)propane-1,3-diamine

1-(1H-indazol-5-yl)propane-1,3-diamine (PubChem CID 22934094) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)propane-1,3-diamine
PubChem CID22934094
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(1H-indazol-5-yl)propane-1,3-diamine
SMILESNCCC(N)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H14N4/c11-4-3-9(12)7-1-2-10-8(5-7)6-13-14-10/h1-2,5-6,9H,3-4,11-12H2,(H,13,14)
InChIKeyYNGLJCMWERIJAV-UHFFFAOYSA-N
XLogP0.91
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1H-indazol-5-yl)-2-methylpropan-1-amine
CID 130948805
3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
CID 171881419
(2R)-1-(1H-indazol-5-yl)propan-2-amine
CID 146673459
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
CID 171866255
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
1H-indazole-5-thiolate
CID 51922109
2-N-(1H-indazol-5-yl)hexane-1,2-diamine
CID 67337922
3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170826176
(2S)-3-(1H-indazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 139568872
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)propane-1,3-diamine?
The IUPAC name of 1-(1H-indazol-5-yl)propane-1,3-diamine (CID 22934094) is 1-(1H-indazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(1H-indazol-5-yl)propane-1,3-diamine?
The canonical SMILES for 1-(1H-indazol-5-yl)propane-1,3-diamine is NCCC(N)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)propane-1,3-diamine?
The InChIKey is YNGLJCMWERIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-4-3-9(12)7-1-2-10-8(5-7)6-13-14-10/h1-2,5-6,9H,3-4,11-12H2,(H,13,14).
What are the key properties of 1-(1H-indazol-5-yl)propane-1,3-diamine?
1-(1H-indazol-5-yl)propane-1,3-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 22934094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).