2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

C12H20N4O — CID 43712088

IUPAC2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCCC(N)C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H20N4O/c1-3-9(13)12(17)15-10-5-4-6-11-8(10)7-14-16(11)2/h7,9-10H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyRTHVCFQTSSOIIX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.65
Rot. Bonds3

About 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (PubChem CID 43712088) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
PubChem CID43712088
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCCC(N)C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H20N4O/c1-3-9(13)12(17)15-10-5-4-6-11-8(10)7-14-16(11)2/h7,9-10H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyRTHVCFQTSSOIIX-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 62475195
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 119956668
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The IUPAC name of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (CID 43712088) is 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The canonical SMILES for 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is CCC(N)C(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The InChIKey is RTHVCFQTSSOIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9(13)12(17)15-10-5-4-6-11-8(10)7-14-16(11)2/h7,9-10H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide has a molecular weight of 236.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is sourced from PubChem (CID 43712088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).