(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine

C10H17N3 — CID 82593140

IUPAC(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
SMILESCc1nn(C)c2c1C(CN)CCC2
InChIInChI=1S/C10H17N3/c1-7-10-8(6-11)4-3-5-9(10)13(2)12-7/h8H,3-6,11H2,1-2H3
InChIKeyMLEVVYBFZBPSND-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.11
Rot. Bonds1

About (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine

(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine (PubChem CID 82593140) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
PubChem CID82593140
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
SMILESCc1nn(C)c2c1C(CN)CCC2
InChIInChI=1S/C10H17N3/c1-7-10-8(6-11)4-3-5-9(10)13(2)12-7/h8H,3-6,11H2,1-2H3
InChIKeyMLEVVYBFZBPSND-UHFFFAOYSA-N
XLogP1.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
The IUPAC name of (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine (CID 82593140) is (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine.
What is the SMILES notation for (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
The canonical SMILES for (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine is Cc1nn(C)c2c1C(CN)CCC2.
What is the InChIKey of (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
The InChIKey is MLEVVYBFZBPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-10-8(6-11)4-3-5-9(10)13(2)12-7/h8H,3-6,11H2,1-2H3.
What are the key properties of (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine?
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine is sourced from PubChem (CID 82593140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).