3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine

C13H19N7 — CID 11716019

IUPAC3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccn[nH]3)cnc2N)CC1
InChIInChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18)
InChIKeyAHHGBHXZBKHKCK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.59
Rot. Bonds2

About 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine

3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine (PubChem CID 11716019) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
PubChem CID11716019
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccn[nH]3)cnc2N)CC1
InChIInChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18)
InChIKeyAHHGBHXZBKHKCK-UHFFFAOYSA-N
XLogP0.59
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
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-(1H-pyrazol-5-yl)pyrazin-2-amine?
The IUPAC name of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine (CID 11716019) is 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine is CN1CCCN(c2nc(-c3ccn[nH]3)cnc2N)CC1.
What is the InChIKey of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
The InChIKey is AHHGBHXZBKHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18).
What are the key properties of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 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-(1H-pyrazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 11716019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).