6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide

C14H24IN5 — CID 166305622

IUPAC6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
SMILESCC1CCC2CN=C(NC(C)c3ccn(C)n3)N2C1.I
InChIInChI=1S/C14H23N5.HI/c1-10-4-5-12-8-15-14(19(12)9-10)16-11(2)13-6-7-18(3)17-13;/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,15,16);1H
InChIKeyOVDFYXXCLRIREG-UHFFFAOYSA-N
MW389.29 g/mol
LogP2.16
Rot. Bonds2

About 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide

6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide (PubChem CID 166305622) has the molecular formula C14H24IN5 and a molecular weight of 389.29 g/mol. Its IUPAC name is 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide.

Molecular Properties

Compound Name6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
PubChem CID166305622
Molecular FormulaC14H24IN5
Molecular Weight389.29 g/mol
Exact Mass389.11
IUPAC Name6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
SMILESCC1CCC2CN=C(NC(C)c3ccn(C)n3)N2C1.I
InChIInChI=1S/C14H23N5.HI/c1-10-4-5-12-8-15-14(19(12)9-10)16-11(2)13-6-7-18(3)17-13;/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,15,16);1H
InChIKeyOVDFYXXCLRIREG-UHFFFAOYSA-N
XLogP2.16
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
The IUPAC name of 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide (CID 166305622) is 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide.
What is the SMILES notation for 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
The canonical SMILES for 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide is CC1CCC2CN=C(NC(C)c3ccn(C)n3)N2C1.I.
What is the InChIKey of 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
The InChIKey is OVDFYXXCLRIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.HI/c1-10-4-5-12-8-15-14(19(12)9-10)16-11(2)13-6-7-18(3)17-13;/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide has a molecular weight of 389.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide is sourced from PubChem (CID 166305622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).