6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine

C14H22N6 — CID 107490314

IUPAC6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine
SMILESCN1CCN(C)C(CNc2cc3[nH]ncc3cc2N)C1
InChIInChI=1S/C14H22N6/c1-19-3-4-20(2)11(9-19)8-16-14-6-13-10(5-12(14)15)7-17-18-13/h5-7,11,16H,3-4,8-9,15H2,1-2H3,(H,17,18)
InChIKeyLZMNPZAJZHAJTN-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.80
Rot. Bonds3

About 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine

6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine (PubChem CID 107490314) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine
PubChem CID107490314
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine
SMILESCN1CCN(C)C(CNc2cc3[nH]ncc3cc2N)C1
InChIInChI=1S/C14H22N6/c1-19-3-4-20(2)11(9-19)8-16-14-6-13-10(5-12(14)15)7-17-18-13/h5-7,11,16H,3-4,8-9,15H2,1-2H3,(H,17,18)
InChIKeyLZMNPZAJZHAJTN-UHFFFAOYSA-N
XLogP0.80
TPSA73.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine (CID 107490314) is 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine is CN1CCN(C)C(CNc2cc3[nH]ncc3cc2N)C1.
What is the InChIKey of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine?
The InChIKey is LZMNPZAJZHAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-19-3-4-20(2)11(9-19)8-16-14-6-13-10(5-12(14)15)7-17-18-13/h5-7,11,16H,3-4,8-9,15H2,1-2H3,(H,17,18).
What are the key properties of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine?
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).