bis(pyridin-3-amine);hydrate

C10H14N4O — CID 172803625

IUPACbis(pyridin-3-amine);hydrate
SMILESNc1cccnc1.Nc1cccnc1.O
InChIInChI=1S/2C5H6N2.H2O/c2*6-5-2-1-3-7-4-5;/h2*1-4H,6H2;1H2
InChIKeyREZXGTSJTXIZDQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.50
Rot. Bonds

About bis(pyridin-3-amine);hydrate

bis(pyridin-3-amine);hydrate (PubChem CID 172803625) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is bis(pyridin-3-amine);hydrate.

Molecular Properties

Compound Namebis(pyridin-3-amine);hydrate
PubChem CID172803625
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Namebis(pyridin-3-amine);hydrate
SMILESNc1cccnc1.Nc1cccnc1.O
InChIInChI=1S/2C5H6N2.H2O/c2*6-5-2-1-3-7-4-5;/h2*1-4H,6H2;1H2
InChIKeyREZXGTSJTXIZDQ-UHFFFAOYSA-N
XLogP0.50
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

iron;pyridin-3-amine
CID 174751178
hydrogen peroxide;pyridin-3-amine
CID 87884226
molecular hydrogen;propane;pyridin-3-amine
CID 156868620
pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139202621
ethane;2-methylpyridine;pyridin-3-amine
CID 143747996
3-methylbutanoic acid;pyridin-3-amine
CID 143630380
ethyl propanoate;pyridin-3-amine;dihydrochloride
CID 174751108
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
copper;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(pyridin-3-amine);diperchlorate
CID 139059899
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
2-N-pyridin-3-ylpyridine-2,5-diamine
CID 4764177

Frequently Asked Questions

What is the IUPAC name of bis(pyridin-3-amine);hydrate?
The IUPAC name of bis(pyridin-3-amine);hydrate (CID 172803625) is bis(pyridin-3-amine);hydrate.
What is the SMILES notation for bis(pyridin-3-amine);hydrate?
The canonical SMILES for bis(pyridin-3-amine);hydrate is Nc1cccnc1.Nc1cccnc1.O.
What is the InChIKey of bis(pyridin-3-amine);hydrate?
The InChIKey is REZXGTSJTXIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6N2.H2O/c2*6-5-2-1-3-7-4-5;/h2*1-4H,6H2;1H2.
What are the key properties of bis(pyridin-3-amine);hydrate?
bis(pyridin-3-amine);hydrate has a molecular weight of 206.25 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-3-amine);hydrate is sourced from PubChem (CID 172803625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).