azane;pyridine-2,4-diamine;hydrate

C5H12N4O — CID 175072071

IUPACazane;pyridine-2,4-diamine;hydrate
SMILESN.Nc1ccnc(N)c1.O
InChIInChI=1S/C5H7N3.H3N.H2O/c6-4-1-2-8-5(7)3-4;;/h1-3H,(H4,6,7,8);1H3;1H2
InChIKeyNPSGHIGNNNTEJD-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.42
Rot. Bonds

About azane;pyridine-2,4-diamine;hydrate

azane;pyridine-2,4-diamine;hydrate (PubChem CID 175072071) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is azane;pyridine-2,4-diamine;hydrate.

Molecular Properties

Compound Nameazane;pyridine-2,4-diamine;hydrate
PubChem CID175072071
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Nameazane;pyridine-2,4-diamine;hydrate
SMILESN.Nc1ccnc(N)c1.O
InChIInChI=1S/C5H7N3.H3N.H2O/c6-4-1-2-8-5(7)3-4;;/h1-3H,(H4,6,7,8);1H3;1H2
InChIKeyNPSGHIGNNNTEJD-UHFFFAOYSA-N
XLogP-0.42
TPSA131.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;pyridine-2,4-diamine;hydrate?
The IUPAC name of azane;pyridine-2,4-diamine;hydrate (CID 175072071) is azane;pyridine-2,4-diamine;hydrate.
What is the SMILES notation for azane;pyridine-2,4-diamine;hydrate?
The canonical SMILES for azane;pyridine-2,4-diamine;hydrate is N.Nc1ccnc(N)c1.O.
What is the InChIKey of azane;pyridine-2,4-diamine;hydrate?
The InChIKey is NPSGHIGNNNTEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.H3N.H2O/c6-4-1-2-8-5(7)3-4;;/h1-3H,(H4,6,7,8);1H3;1H2.
What are the key properties of azane;pyridine-2,4-diamine;hydrate?
azane;pyridine-2,4-diamine;hydrate has a molecular weight of 144.18 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyridine-2,4-diamine;hydrate is sourced from PubChem (CID 175072071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).