1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine

C12H16N4 — CID 80634622

IUPAC1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine
SMILESCc1cc(CC(C)N)cnc1-n1ccnc1
InChIInChI=1S/C12H16N4/c1-9-5-11(6-10(2)13)7-15-12(9)16-4-3-14-8-16/h3-5,7-8,10H,6,13H2,1-2H3
InChIKeyJDTZJDZTSNILAM-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.47
Rot. Bonds3

About 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine

1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine (PubChem CID 80634622) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine
PubChem CID80634622
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine
SMILESCc1cc(CC(C)N)cnc1-n1ccnc1
InChIInChI=1S/C12H16N4/c1-9-5-11(6-10(2)13)7-15-12(9)16-4-3-14-8-16/h3-5,7-8,10H,6,13H2,1-2H3
InChIKeyJDTZJDZTSNILAM-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine?
The IUPAC name of 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine (CID 80634622) is 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine is Cc1cc(CC(C)N)cnc1-n1ccnc1.
What is the InChIKey of 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine?
The InChIKey is JDTZJDZTSNILAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-5-11(6-10(2)13)7-15-12(9)16-4-3-14-8-16/h3-5,7-8,10H,6,13H2,1-2H3.
What are the key properties of 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine?
1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 80634622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).