1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine

C10H15N3 — CID 171854974

IUPAC1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine
SMILESC1=CC2=C3CNCNC3CCN2C1
InChIInChI=1S/C10H15N3/c1-2-10-8-6-11-7-12-9(8)3-5-13(10)4-1/h1-2,9,11-12H,3-7H2
InChIKeyRNAZNDXTWILYFJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.03
Rot. Bonds

About 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine

1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine (PubChem CID 171854974) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine
PubChem CID171854974
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine
SMILESC1=CC2=C3CNCNC3CCN2C1
InChIInChI=1S/C10H15N3/c1-2-10-8-6-11-7-12-9(8)3-5-13(10)4-1/h1-2,9,11-12H,3-7H2
InChIKeyRNAZNDXTWILYFJ-UHFFFAOYSA-N
XLogP0.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine?
The IUPAC name of 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine (CID 171854974) is 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine.
What is the SMILES notation for 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine?
The canonical SMILES for 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine is C1=CC2=C3CNCNC3CCN2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine?
The InChIKey is RNAZNDXTWILYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-10-8-6-11-7-12-9(8)3-5-13(10)4-1/h1-2,9,11-12H,3-7H2.
What are the key properties of 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine?
1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine has a molecular weight of 177.25 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,8-octahydropyrimido[4,5-g]indolizine is sourced from PubChem (CID 171854974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).