3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine

C15H20N6 — CID 11694866

IUPAC3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N)CC1
InChIInChI=1S/C15H20N6/c1-20-7-2-8-21(10-9-20)15-14(16)18-11-13(19-15)12-3-5-17-6-4-12/h3-6,11H,2,7-10H2,1H3,(H2,16,18)
InChIKeyPIMQFHNTBSHECK-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.26
Rot. Bonds2

About 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine

3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (PubChem CID 11694866) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
PubChem CID11694866
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N)CC1
InChIInChI=1S/C15H20N6/c1-20-7-2-8-21(10-9-20)15-14(16)18-11-13(19-15)12-3-5-17-6-4-12/h3-6,11H,2,7-10H2,1H3,(H2,16,18)
InChIKeyPIMQFHNTBSHECK-UHFFFAOYSA-N
XLogP1.26
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The IUPAC name of 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (CID 11694866) is 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.
What is the SMILES notation for 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The canonical SMILES for 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is CN1CCCN(c2nc(-c3ccncc3)cnc2N)CC1.
What is the InChIKey of 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The InChIKey is PIMQFHNTBSHECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20-7-2-8-21(10-9-20)15-14(16)18-11-13(19-15)12-3-5-17-6-4-12/h3-6,11H,2,7-10H2,1H3,(H2,16,18).
What are the key properties of 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is sourced from PubChem (CID 11694866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).