(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C7H7N5O — CID 43807287

IUPAC(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(-c2cnccn2)no1
InChIInChI=1S/C7H7N5O/c8-3-6-11-7(12-13-6)5-4-9-1-2-10-5/h1-2,4H,3,8H2
InChIKeySWHSAWZNCSKHPX-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.01
Rot. Bonds2

About (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 43807287) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID43807287
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(-c2cnccn2)no1
InChIInChI=1S/C7H7N5O/c8-3-6-11-7(12-13-6)5-4-9-1-2-10-5/h1-2,4H,3,8H2
InChIKeySWHSAWZNCSKHPX-UHFFFAOYSA-N
XLogP-0.01
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 43807287) is (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is NCc1nc(-c2cnccn2)no1.
What is the InChIKey of (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is SWHSAWZNCSKHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-3-6-11-7(12-13-6)5-4-9-1-2-10-5/h1-2,4H,3,8H2.
What are the key properties of (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 177.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 43807287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).