bis(3-aminopyrazin-2-yl)methanone

C9H8N6O — CID 155673522

IUPACbis(3-aminopyrazin-2-yl)methanone
SMILESNc1nccnc1C(=O)c1nccnc1N
InChIInChI=1S/C9H8N6O/c10-8-5(12-1-3-14-8)7(16)6-9(11)15-4-2-13-6/h1-4H,(H2,10,14)(H2,11,15)
InChIKeyBAHGHPORBNVCKF-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.34
Rot. Bonds2

About bis(3-aminopyrazin-2-yl)methanone

bis(3-aminopyrazin-2-yl)methanone (PubChem CID 155673522) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is bis(3-aminopyrazin-2-yl)methanone.

Molecular Properties

Compound Namebis(3-aminopyrazin-2-yl)methanone
PubChem CID155673522
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Namebis(3-aminopyrazin-2-yl)methanone
SMILESNc1nccnc1C(=O)c1nccnc1N
InChIInChI=1S/C9H8N6O/c10-8-5(12-1-3-14-8)7(16)6-9(11)15-4-2-13-6/h1-4H,(H2,10,14)(H2,11,15)
InChIKeyBAHGHPORBNVCKF-UHFFFAOYSA-N
XLogP-0.34
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-aminopyrazine-2-carboxylate
CID 6973597
diazanium bis(3-aminopyrazine-2-carboxylate)
CID 139080956
1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one
CID 59479802
3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
CID 43039024
3-amino-N,N-diethylpyrazine-2-carboxamide
CID 13141221
bis(3-amino-N-(aminomethylidene)pyrazine-2-carboxamide);hydrate
CID 70628736
3-prop-1-en-2-ylpyrazin-2-amine
CID 126961457
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
bis(3-methylpyrazin-2-yl)methanone
CID 69473088
3-amino-N-(4-aminocyclohexyl)pyrazine-2-carboxamide;dihydrochloride
CID 119474422
cyclopropylmethyl 3-aminopyrazine-2-carboxylate
CID 63259879
[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379743

Frequently Asked Questions

What is the IUPAC name of bis(3-aminopyrazin-2-yl)methanone?
The IUPAC name of bis(3-aminopyrazin-2-yl)methanone (CID 155673522) is bis(3-aminopyrazin-2-yl)methanone.
What is the SMILES notation for bis(3-aminopyrazin-2-yl)methanone?
The canonical SMILES for bis(3-aminopyrazin-2-yl)methanone is Nc1nccnc1C(=O)c1nccnc1N.
What is the InChIKey of bis(3-aminopyrazin-2-yl)methanone?
The InChIKey is BAHGHPORBNVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c10-8-5(12-1-3-14-8)7(16)6-9(11)15-4-2-13-6/h1-4H,(H2,10,14)(H2,11,15).
What are the key properties of bis(3-aminopyrazin-2-yl)methanone?
bis(3-aminopyrazin-2-yl)methanone has a molecular weight of 216.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-aminopyrazin-2-yl)methanone is sourced from PubChem (CID 155673522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).