6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine

C16H27N5 — CID 107488380

IUPAC6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
SMILESCCN(CC)CCCC(C)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C16H27N5/c1-4-21(5-2)8-6-7-12(3)19-16-10-15-13(9-14(16)17)11-18-20-15/h9-12,19H,4-8,17H2,1-3H3,(H,18,20)
InChIKeySLBZPKZMOOUPID-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.07
Rot. Bonds8

About 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine

6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine (PubChem CID 107488380) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
PubChem CID107488380
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
SMILESCCN(CC)CCCC(C)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C16H27N5/c1-4-21(5-2)8-6-7-12(3)19-16-10-15-13(9-14(16)17)11-18-20-15/h9-12,19H,4-8,17H2,1-3H3,(H,18,20)
InChIKeySLBZPKZMOOUPID-UHFFFAOYSA-N
XLogP3.07
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.07
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

3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
5-amino-N-[5-(diethylamino)pentan-2-yl]-1H-pyrazole-4-carboxamide
CID 43337193
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
CID 107489486
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489454
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432

Frequently Asked Questions

What is the IUPAC name of 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine (CID 107488380) is 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine is CCN(CC)CCCC(C)Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine?
The InChIKey is SLBZPKZMOOUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-21(5-2)8-6-7-12(3)19-16-10-15-13(9-14(16)17)11-18-20-15/h9-12,19H,4-8,17H2,1-3H3,(H,18,20).
What are the key properties of 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine?
6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 107488380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).