3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

C13H22N4O — CID 64683649

IUPAC3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCn1ncc2c1CCCC2NC(=O)CC(C)(C)N
InChIInChI=1S/C13H22N4O/c1-13(2,14)7-12(18)16-10-5-4-6-11-9(10)8-15-17(11)3/h8,10H,4-7,14H2,1-3H3,(H,16,18)
InChIKeyXRPZIXUISTWKMW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (PubChem CID 64683649) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
PubChem CID64683649
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCn1ncc2c1CCCC2NC(=O)CC(C)(C)N
InChIInChI=1S/C13H22N4O/c1-13(2,14)7-12(18)16-10-5-4-6-11-9(10)8-15-17(11)3/h8,10H,4-7,14H2,1-3H3,(H,16,18)
InChIKeyXRPZIXUISTWKMW-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-methoxy-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 113233382
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (CID 64683649) is 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is Cn1ncc2c1CCCC2NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The InChIKey is XRPZIXUISTWKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,14)7-12(18)16-10-5-4-6-11-9(10)8-15-17(11)3/h8,10H,4-7,14H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is sourced from PubChem (CID 64683649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).