(4-amino-1,2-dihydropyridin-5-yl)methanol

C6H10N2O — CID 86340427

IUPAC(4-amino-1,2-dihydropyridin-5-yl)methanol
SMILESNC1=CCNC=C1CO
InChIInChI=1S/C6H10N2O/c7-6-1-2-8-3-5(6)4-9/h1,3,8-9H,2,4,7H2
InChIKeyXZKOIYYIEQKQQH-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.69
Rot. Bonds1

About (4-amino-1,2-dihydropyridin-5-yl)methanol

(4-amino-1,2-dihydropyridin-5-yl)methanol (PubChem CID 86340427) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (4-amino-1,2-dihydropyridin-5-yl)methanol.

Molecular Properties

Compound Name(4-amino-1,2-dihydropyridin-5-yl)methanol
PubChem CID86340427
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(4-amino-1,2-dihydropyridin-5-yl)methanol
SMILESNC1=CCNC=C1CO
InChIInChI=1S/C6H10N2O/c7-6-1-2-8-3-5(6)4-9/h1,3,8-9H,2,4,7H2
InChIKeyXZKOIYYIEQKQQH-UHFFFAOYSA-N
XLogP-0.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2-dihydropyridin-5-yl)methanol?
The IUPAC name of (4-amino-1,2-dihydropyridin-5-yl)methanol (CID 86340427) is (4-amino-1,2-dihydropyridin-5-yl)methanol.
What is the SMILES notation for (4-amino-1,2-dihydropyridin-5-yl)methanol?
The canonical SMILES for (4-amino-1,2-dihydropyridin-5-yl)methanol is NC1=CCNC=C1CO.
What is the InChIKey of (4-amino-1,2-dihydropyridin-5-yl)methanol?
The InChIKey is XZKOIYYIEQKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6-1-2-8-3-5(6)4-9/h1,3,8-9H,2,4,7H2.
What are the key properties of (4-amino-1,2-dihydropyridin-5-yl)methanol?
(4-amino-1,2-dihydropyridin-5-yl)methanol has a molecular weight of 126.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2-dihydropyridin-5-yl)methanol is sourced from PubChem (CID 86340427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).