2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine

C10H17N3O — CID 172802718

IUPAC2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine
SMILESCC1(C2(N)NC=CC=C2N)CCOC1
InChIInChI=1S/C10H17N3O/c1-9(4-6-14-7-9)10(12)8(11)3-2-5-13-10/h2-3,5,13H,4,6-7,11-12H2,1H3
InChIKeyRBWXJXXEPAJLDD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.03
Rot. Bonds1

About 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine

2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine (PubChem CID 172802718) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine
PubChem CID172802718
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine
SMILESCC1(C2(N)NC=CC=C2N)CCOC1
InChIInChI=1S/C10H17N3O/c1-9(4-6-14-7-9)10(12)8(11)3-2-5-13-10/h2-3,5,13H,4,6-7,11-12H2,1H3
InChIKeyRBWXJXXEPAJLDD-UHFFFAOYSA-N
XLogP0.03
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine (CID 172802718) is 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine is CC1(C2(N)NC=CC=C2N)CCOC1.
What is the InChIKey of 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine?
The InChIKey is RBWXJXXEPAJLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(4-6-14-7-9)10(12)8(11)3-2-5-13-10/h2-3,5,13H,4,6-7,11-12H2,1H3.
What are the key properties of 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine?
2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 172802718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).