1-[(5-methyl-3-pyridinyl)methyl]diazinane

C11H17N3 — CID 131036617

IUPAC1-[(5-methyl-3-pyridinyl)methyl]diazinane
SMILESCc1cncc(CN2CCCCN2)c1
InChIInChI=1S/C11H17N3/c1-10-6-11(8-12-7-10)9-14-5-3-2-4-13-14/h6-8,13H,2-5,9H2,1H3
InChIKeyMUUDWKJQJXIVQI-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.49
Rot. Bonds2

About 1-[(5-methyl-3-pyridinyl)methyl]diazinane

1-[(5-methyl-3-pyridinyl)methyl]diazinane (PubChem CID 131036617) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]diazinane.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]diazinane
PubChem CID131036617
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]diazinane
SMILESCc1cncc(CN2CCCCN2)c1
InChIInChI=1S/C11H17N3/c1-10-6-11(8-12-7-10)9-14-5-3-2-4-13-14/h6-8,13H,2-5,9H2,1H3
InChIKeyMUUDWKJQJXIVQI-UHFFFAOYSA-N
XLogP1.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]diazinane?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]diazinane (CID 131036617) is 1-[(5-methyl-3-pyridinyl)methyl]diazinane.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]diazinane?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]diazinane is Cc1cncc(CN2CCCCN2)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]diazinane?
The InChIKey is MUUDWKJQJXIVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-6-11(8-12-7-10)9-14-5-3-2-4-13-14/h6-8,13H,2-5,9H2,1H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]diazinane?
1-[(5-methyl-3-pyridinyl)methyl]diazinane has a molecular weight of 191.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]diazinane is sourced from PubChem (CID 131036617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).