(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine

C8H13N3 — CID 95865985

IUPAC(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
SMILESCc1[nH]nc2c1[C@@H](N)CCC2
InChIInChI=1S/C8H13N3/c1-5-8-6(9)3-2-4-7(8)11-10-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyGASSVGBHTSGSKT-LURJTMIESA-N
MW151.21 g/mol
LogP1.05
Rot. Bonds

About (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine

(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine (PubChem CID 95865985) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine.

Molecular Properties

Compound Name(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
PubChem CID95865985
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
SMILESCc1[nH]nc2c1[C@@H](N)CCC2
InChIInChI=1S/C8H13N3/c1-5-8-6(9)3-2-4-7(8)11-10-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyGASSVGBHTSGSKT-LURJTMIESA-N
XLogP1.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine?
The IUPAC name of (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine (CID 95865985) is (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine.
What is the SMILES notation for (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine?
The canonical SMILES for (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine is Cc1[nH]nc2c1[C@@H](N)CCC2.
What is the InChIKey of (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine?
The InChIKey is GASSVGBHTSGSKT-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3/c1-5-8-6(9)3-2-4-7(8)11-10-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine?
(4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine is sourced from PubChem (CID 95865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).