5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine

C11H19N3 — CID 127263413

IUPAC5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine
SMILESCC(C)c1n[nH]c2c1CC(C)(N)CC2
InChIInChI=1S/C11H19N3/c1-7(2)10-8-6-11(3,12)5-4-9(8)13-14-10/h7H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyDOJXIEICABPPMM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.74
Rot. Bonds1

About 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine

5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine (PubChem CID 127263413) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine
PubChem CID127263413
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine
SMILESCC(C)c1n[nH]c2c1CC(C)(N)CC2
InChIInChI=1S/C11H19N3/c1-7(2)10-8-6-11(3,12)5-4-9(8)13-14-10/h7H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyDOJXIEICABPPMM-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine?
The IUPAC name of 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine (CID 127263413) is 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine is CC(C)c1n[nH]c2c1CC(C)(N)CC2.
What is the InChIKey of 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine?
The InChIKey is DOJXIEICABPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(2)10-8-6-11(3,12)5-4-9(8)13-14-10/h7H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine?
5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine has a molecular weight of 193.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 127263413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).