(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol

C9H15N3O — CID 83906528

IUPAC(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
SMILESCn1ncc2c1C(N)(CO)CCC2
InChIInChI=1S/C9H15N3O/c1-12-8-7(5-11-12)3-2-4-9(8,10)6-13/h5,13H,2-4,6,10H2,1H3
InChIKeyDTWVQYPYDKLMHP-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.10
Rot. Bonds1

About (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol

(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol (PubChem CID 83906528) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol.

Molecular Properties

Compound Name(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
PubChem CID83906528
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
SMILESCn1ncc2c1C(N)(CO)CCC2
InChIInChI=1S/C9H15N3O/c1-12-8-7(5-11-12)3-2-4-9(8,10)6-13/h5,13H,2-4,6,10H2,1H3
InChIKeyDTWVQYPYDKLMHP-UHFFFAOYSA-N
XLogP-0.10
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
The IUPAC name of (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol (CID 83906528) is (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol.
What is the SMILES notation for (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
The canonical SMILES for (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol is Cn1ncc2c1C(N)(CO)CCC2.
What is the InChIKey of (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
The InChIKey is DTWVQYPYDKLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8-7(5-11-12)3-2-4-9(8,10)6-13/h5,13H,2-4,6,10H2,1H3.
What are the key properties of (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol has a molecular weight of 181.24 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol is sourced from PubChem (CID 83906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).