3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

C8H11N3O — CID 105432695

IUPAC3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESNc1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C8H11N3O/c9-6-3-5-4-10-2-1-7(5)11-8(6)12/h3,10H,1-2,4,9H2,(H,11,12)
InChIKeyCVTOSYFNMBNNDD-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.40
Rot. Bonds

About 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (PubChem CID 105432695) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
PubChem CID105432695
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESNc1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C8H11N3O/c9-6-3-5-4-10-2-1-7(5)11-8(6)12/h3,10H,1-2,4,9H2,(H,11,12)
InChIKeyCVTOSYFNMBNNDD-UHFFFAOYSA-N
XLogP-0.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 89388831
methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
CID 52987735
4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 77174580
3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 18943505
3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 105477997
3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 105447221
2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride
CID 91623841
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815384
3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
CID 28815458
2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
CID 91623813
1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine
CID 57349669
benzyl 3-amino-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylate
CID 137491010

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (CID 105432695) is 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is Nc1cc2c([nH]c1=O)CCNC2.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is CVTOSYFNMBNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-6-3-5-4-10-2-1-7(5)11-8(6)12/h3,10H,1-2,4,9H2,(H,11,12).
What are the key properties of 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 165.20 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 105432695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).