2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide

C14H21N5O — CID 107490904

IUPAC2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1cc2[nH]ncc2cc1N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N5O/c1-8(13(20)18-14(2,3)4)17-12-6-11-9(5-10(12)15)7-16-19-11/h5-8,17H,15H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyHYKQJVFTTBMPDY-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.86
Rot. Bonds3

About 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide

2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide (PubChem CID 107490904) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
PubChem CID107490904
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1cc2[nH]ncc2cc1N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N5O/c1-8(13(20)18-14(2,3)4)17-12-6-11-9(5-10(12)15)7-16-19-11/h5-8,17H,15H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyHYKQJVFTTBMPDY-UHFFFAOYSA-N
XLogP1.86
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.86
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

6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490924
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 107490922
6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489454
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
2-[(5-aminoisoquinolin-8-yl)amino]-N-tert-butylpropanamide
CID 103139066
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
CID 114114758
6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
CID 107490998

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide (CID 107490904) is 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide is CC(Nc1cc2[nH]ncc2cc1N)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
The InChIKey is HYKQJVFTTBMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-8(13(20)18-14(2,3)4)17-12-6-11-9(5-10(12)15)7-16-19-11/h5-8,17H,15H2,1-4H3,(H,16,19)(H,18,20).
What are the key properties of 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide has a molecular weight of 275.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 107490904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).