3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide

C14H21N5O — CID 107490924

IUPAC3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H21N5O/c1-14(2,3)18-13(20)4-5-16-12-7-11-9(6-10(12)15)8-17-19-11/h6-8,16H,4-5,15H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFDYANYOAXCBHRX-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.86
Rot. Bonds4

About 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide

3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide (PubChem CID 107490924) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
PubChem CID107490924
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H21N5O/c1-14(2,3)18-13(20)4-5-16-12-7-11-9(6-10(12)15)8-17-19-11/h6-8,16H,4-5,15H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFDYANYOAXCBHRX-UHFFFAOYSA-N
XLogP1.86
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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

3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 107490922
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine
CID 107490023
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
3-amino-N-(5-methyl-1H-indazol-6-yl)propanamide;hydrochloride
CID 119317530
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
CID 60724448

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide (CID 107490924) is 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide is CC(C)(C)NC(=O)CCNc1cc2[nH]ncc2cc1N.
What is the InChIKey of 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
The InChIKey is FDYANYOAXCBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)18-13(20)4-5-16-12-7-11-9(6-10(12)15)8-17-19-11/h6-8,16H,4-5,15H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide?
3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide has a molecular weight of 275.36 g/mol, XLogP of 1.86, 4 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-tert-butylpropanamide is sourced from PubChem (CID 107490924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).