3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide

C13H19N5O — CID 107490922

IUPAC3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1cc2[nH]ncc2cc1N
InChIInChI=1S/C13H19N5O/c1-8(2)17-13(19)3-4-15-12-6-11-9(5-10(12)14)7-16-18-11/h5-8,15H,3-4,14H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDUSGSOGBZCWFSF-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.47
Rot. Bonds5

About 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide

3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 107490922) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
PubChem CID107490922
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1cc2[nH]ncc2cc1N
InChIInChI=1S/C13H19N5O/c1-8(2)17-13(19)3-4-15-12-6-11-9(5-10(12)14)7-16-18-11/h5-8,15H,3-4,14H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDUSGSOGBZCWFSF-UHFFFAOYSA-N
XLogP1.47
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.47
H-Bond Donors ≤ 54
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]-N-tert-butylpropanamide
CID 107490924
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
CID 107490998
6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
CID 114114758
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 102759699
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine
CID 107490023
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide (CID 107490922) is 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1cc2[nH]ncc2cc1N.
What is the InChIKey of 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is DUSGSOGBZCWFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)17-13(19)3-4-15-12-6-11-9(5-10(12)14)7-16-18-11/h5-8,15H,3-4,14H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide?
3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 261.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107490922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).