5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol

C15H17N3O — CID 80562688

IUPAC5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)Cc1cnccc1N
InChIInChI=1S/C15H17N3O/c16-12-1-2-13-10(7-12)3-5-15(13,19)8-11-9-18-6-4-14(11)17/h1-2,4,6-7,9,19H,3,5,8,16H2,(H2,17,18)
InChIKeyNWNFHHTYBLRWIQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.62
Rot. Bonds2

About 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol

5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 80562688) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID80562688
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)Cc1cnccc1N
InChIInChI=1S/C15H17N3O/c16-12-1-2-13-10(7-12)3-5-15(13,19)8-11-9-18-6-4-14(11)17/h1-2,4,6-7,9,19H,3,5,8,16H2,(H2,17,18)
InChIKeyNWNFHHTYBLRWIQ-UHFFFAOYSA-N
XLogP1.62
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol (CID 80562688) is 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)Cc1cnccc1N.
What is the InChIKey of 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is NWNFHHTYBLRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-1-2-13-10(7-12)3-5-15(13,19)8-11-9-18-6-4-14(11)17/h1-2,4,6-7,9,19H,3,5,8,16H2,(H2,17,18).
What are the key properties of 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol?
5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 255.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).