3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile

C10H13N5 — CID 18526471

IUPAC3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCNCC1
InChIInChI=1S/C10H13N5/c11-8-9-10(14-4-3-13-9)15-6-1-2-12-5-7-15/h3-4,12H,1-2,5-7H2
InChIKeyDUCLAEBKVVQXTP-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.15
Rot. Bonds1

About 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile

3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile (PubChem CID 18526471) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
PubChem CID18526471
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCNCC1
InChIInChI=1S/C10H13N5/c11-8-9-10(14-4-3-13-9)15-6-1-2-12-5-7-15/h3-4,12H,1-2,5-7H2
InChIKeyDUCLAEBKVVQXTP-UHFFFAOYSA-N
XLogP0.15
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile (CID 18526471) is 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCNCC1.
What is the InChIKey of 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile?
The InChIKey is DUCLAEBKVVQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-8-9-10(14-4-3-13-9)15-6-1-2-12-5-7-15/h3-4,12H,1-2,5-7H2.
What are the key properties of 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile?
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 18526471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).