4-N-(oxolan-3-yl)pyridine-3,4-diamine

C9H13N3O — CID 80717720

IUPAC4-N-(oxolan-3-yl)pyridine-3,4-diamine
SMILESNc1cnccc1NC1CCOC1
InChIInChI=1S/C9H13N3O/c10-8-5-11-3-1-9(8)12-7-2-4-13-6-7/h1,3,5,7H,2,4,6,10H2,(H,11,12)
InChIKeyBAMXNRAERZPYLD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds2

About 4-N-(oxolan-3-yl)pyridine-3,4-diamine

4-N-(oxolan-3-yl)pyridine-3,4-diamine (PubChem CID 80717720) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-N-(oxolan-3-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(oxolan-3-yl)pyridine-3,4-diamine
PubChem CID80717720
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-N-(oxolan-3-yl)pyridine-3,4-diamine
SMILESNc1cnccc1NC1CCOC1
InChIInChI=1S/C9H13N3O/c10-8-5-11-3-1-9(8)12-7-2-4-13-6-7/h1,3,5,7H,2,4,6,10H2,(H,11,12)
InChIKeyBAMXNRAERZPYLD-UHFFFAOYSA-N
XLogP0.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
CID 143481512
2-N-(oxolan-3-yl)pyrazine-2,6-diamine
CID 80714757
5-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80717069
4-(ethylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 80714391
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544
2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
CID 80716587
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-N-(oxan-3-yl)quinoline-4,8-diamine
CID 83060374
2-nitro-3-N-(oxolan-3-yl)benzene-1,3-diamine
CID 80853654
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-3-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(oxolan-3-yl)pyridine-3,4-diamine (CID 80717720) is 4-N-(oxolan-3-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(oxolan-3-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(oxolan-3-yl)pyridine-3,4-diamine is Nc1cnccc1NC1CCOC1.
What is the InChIKey of 4-N-(oxolan-3-yl)pyridine-3,4-diamine?
The InChIKey is BAMXNRAERZPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-8-5-11-3-1-9(8)12-7-2-4-13-6-7/h1,3,5,7H,2,4,6,10H2,(H,11,12).
What are the key properties of 4-N-(oxolan-3-yl)pyridine-3,4-diamine?
4-N-(oxolan-3-yl)pyridine-3,4-diamine has a molecular weight of 179.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-3-yl)pyridine-3,4-diamine is sourced from PubChem (CID 80717720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).