3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine

C8H12N4 — CID 131014799

IUPAC3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine
SMILESC[C@@H]1C[C@H]1Nc1nccnc1N
InChIInChI=1S/C8H12N4/c1-5-4-6(5)12-8-7(9)10-2-3-11-8/h2-3,5-6H,4H2,1H3,(H2,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKeyHTXWZXLMSUAFMN-PHDIDXHHSA-N
MW164.21 g/mol
LogP0.88
Rot. Bonds2

About 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine

3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine (PubChem CID 131014799) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine
PubChem CID131014799
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine
SMILESC[C@@H]1C[C@H]1Nc1nccnc1N
InChIInChI=1S/C8H12N4/c1-5-4-6(5)12-8-7(9)10-2-3-11-8/h2-3,5-6H,4H2,1H3,(H2,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKeyHTXWZXLMSUAFMN-PHDIDXHHSA-N
XLogP0.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine (CID 131014799) is 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine is C[C@@H]1C[C@H]1Nc1nccnc1N.
What is the InChIKey of 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine?
The InChIKey is HTXWZXLMSUAFMN-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-4-6(5)12-8-7(9)10-2-3-11-8/h2-3,5-6H,4H2,1H3,(H2,9,10)(H,11,12)/t5-,6-/m1/s1.
What are the key properties of 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine?
3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine has a molecular weight of 164.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine is sourced from PubChem (CID 131014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).