(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine

C7H10N4 — CID 135128773

IUPAC(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine
SMILESCC1=CN=C2NC(C)=N[C@H]2N1
InChIInChI=1S/C7H10N4/c1-4-3-8-6-7(9-4)11-5(2)10-6/h3,7,9H,1-2H3,(H,8,10,11)/t7-/m1/s1
InChIKeyDQYZDQBYJLFVJA-SSDOTTSWSA-N
MW150.18 g/mol
LogP0.20
Rot. Bonds

About (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine

(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine (PubChem CID 135128773) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine
PubChem CID135128773
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine
SMILESCC1=CN=C2NC(C)=N[C@H]2N1
InChIInChI=1S/C7H10N4/c1-4-3-8-6-7(9-4)11-5(2)10-6/h3,7,9H,1-2H3,(H,8,10,11)/t7-/m1/s1
InChIKeyDQYZDQBYJLFVJA-SSDOTTSWSA-N
XLogP0.20
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine?
The IUPAC name of (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine (CID 135128773) is (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine?
The canonical SMILES for (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine is CC1=CN=C2NC(C)=N[C@H]2N1.
What is the InChIKey of (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine?
The InChIKey is DQYZDQBYJLFVJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-3-8-6-7(9-4)11-5(2)10-6/h3,7,9H,1-2H3,(H,8,10,11)/t7-/m1/s1.
What are the key properties of (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine?
(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine has a molecular weight of 150.18 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 135128773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).