guanidine;2H-pyran

C6H11N3O — CID 174410087

IUPACguanidine;2H-pyran
SMILESC1=CCOC=C1.[H]N=C(N)N
InChIInChI=1S/C5H6O.CH5N3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H,5H2;(H5,2,3,4)
InChIKeyDJURGJNEQQUANC-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.07
Rot. Bonds

About guanidine;2H-pyran

guanidine;2H-pyran (PubChem CID 174410087) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is guanidine;2H-pyran.

Molecular Properties

Compound Nameguanidine;2H-pyran
PubChem CID174410087
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Nameguanidine;2H-pyran
SMILESC1=CCOC=C1.[H]N=C(N)N
InChIInChI=1S/C5H6O.CH5N3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H,5H2;(H5,2,3,4)
InChIKeyDJURGJNEQQUANC-UHFFFAOYSA-N
XLogP-0.07
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of guanidine;2H-pyran?
The IUPAC name of guanidine;2H-pyran (CID 174410087) is guanidine;2H-pyran.
What is the SMILES notation for guanidine;2H-pyran?
The canonical SMILES for guanidine;2H-pyran is C1=CCOC=C1.[H]N=C(N)N.
What is the InChIKey of guanidine;2H-pyran?
The InChIKey is DJURGJNEQQUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.CH5N3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H,5H2;(H5,2,3,4).
What are the key properties of guanidine;2H-pyran?
guanidine;2H-pyran has a molecular weight of 141.17 g/mol, XLogP of -0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;2H-pyran is sourced from PubChem (CID 174410087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).