1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine

C9H15N3O — CID 131135114

IUPAC1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine
SMILESCCCn1c(N)nc2c1CCOC2
InChIInChI=1S/C9H15N3O/c1-2-4-12-8-3-5-13-6-7(8)11-9(12)10/h2-6H2,1H3,(H2,10,11)
InChIKeyKIJUVFXYFIUKHM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds2

About 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine

1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine (PubChem CID 131135114) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine.

Molecular Properties

Compound Name1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine
PubChem CID131135114
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine
SMILESCCCn1c(N)nc2c1CCOC2
InChIInChI=1S/C9H15N3O/c1-2-4-12-8-3-5-13-6-7(8)11-9(12)10/h2-6H2,1H3,(H2,10,11)
InChIKeyKIJUVFXYFIUKHM-UHFFFAOYSA-N
XLogP0.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine?
The IUPAC name of 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine (CID 131135114) is 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine.
What is the SMILES notation for 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine?
The canonical SMILES for 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine is CCCn1c(N)nc2c1CCOC2.
What is the InChIKey of 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine?
The InChIKey is KIJUVFXYFIUKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-4-12-8-3-5-13-6-7(8)11-9(12)10/h2-6H2,1H3,(H2,10,11).
What are the key properties of 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine?
1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine is sourced from PubChem (CID 131135114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).