6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine

C14H21N5 — CID 107489402

IUPAC6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
SMILESCC(CN1CCCC1)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H21N5/c1-10(9-19-4-2-3-5-19)17-14-7-13-11(6-12(14)15)8-16-18-13/h6-8,10,17H,2-5,9,15H2,1H3,(H,16,18)
InChIKeyGQNGTWKOYGBOEM-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.04
Rot. Bonds4

About 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine

6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine (PubChem CID 107489402) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
PubChem CID107489402
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
SMILESCC(CN1CCCC1)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H21N5/c1-10(9-19-4-2-3-5-19)17-14-7-13-11(6-12(14)15)8-16-18-13/h6-8,10,17H,2-5,9,15H2,1H3,(H,16,18)
InChIKeyGQNGTWKOYGBOEM-UHFFFAOYSA-N
XLogP2.04
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4,5-diamine
CID 82239020
6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
CID 107488380
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807
6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
CID 114114758
6-N-morpholin-4-yl-1H-indazole-5,6-diamine
CID 107490810
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284
3-bromo-8-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949172
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
4-amino-3-(1-pyrrolidin-1-ylpropan-2-ylamino)benzonitrile
CID 104711678
3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 107490922

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine (CID 107489402) is 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine is CC(CN1CCCC1)Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine?
The InChIKey is GQNGTWKOYGBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(9-19-4-2-3-5-19)17-14-7-13-11(6-12(14)15)8-16-18-13/h6-8,10,17H,2-5,9,15H2,1H3,(H,16,18).
What are the key properties of 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine?
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).