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

C14H24N4O — CID 43712066

IUPAC6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
SMILESCn1ncc2c1CCCC2NC(=O)CCCCCN
InChIInChI=1S/C14H24N4O/c1-18-13-7-5-6-12(11(13)10-16-18)17-14(19)8-3-2-4-9-15/h10,12H,2-9,15H2,1H3,(H,17,19)
InChIKeyREGCGXBYGRAENB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds6

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

6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide (PubChem CID 43712066) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
PubChem CID43712066
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
SMILESCn1ncc2c1CCCC2NC(=O)CCCCCN
InChIInChI=1S/C14H24N4O/c1-18-13-7-5-6-12(11(13)10-16-18)17-14(19)8-3-2-4-9-15/h10,12H,2-9,15H2,1H3,(H,17,19)
InChIKeyREGCGXBYGRAENB-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47025801
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119730410
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide?
The IUPAC name of 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide (CID 43712066) is 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide?
The canonical SMILES for 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide is Cn1ncc2c1CCCC2NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide?
The InChIKey is REGCGXBYGRAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18-13-7-5-6-12(11(13)10-16-18)17-14(19)8-3-2-4-9-15/h10,12H,2-9,15H2,1H3,(H,17,19).
What are the key properties of 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide?
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide has a molecular weight of 264.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide is sourced from PubChem (CID 43712066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).