N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine

C10H14FN3 — CID 164646890

IUPACN-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine
SMILESCC[C@@H]1C[C@H]1CNc1cncc(F)n1
InChIInChI=1S/C10H14FN3/c1-2-7-3-8(7)4-13-10-6-12-5-9(11)14-10/h5-8H,2-4H2,1H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyJGOQIXMBHJYELQ-SFYZADRCSA-N
MW195.24 g/mol
LogP2.07
Rot. Bonds4

About N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine

N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine (PubChem CID 164646890) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine.

Molecular Properties

Compound NameN-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine
PubChem CID164646890
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC NameN-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine
SMILESCC[C@@H]1C[C@H]1CNc1cncc(F)n1
InChIInChI=1S/C10H14FN3/c1-2-7-3-8(7)4-13-10-6-12-5-9(11)14-10/h5-8H,2-4H2,1H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyJGOQIXMBHJYELQ-SFYZADRCSA-N
XLogP2.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine?
The IUPAC name of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine (CID 164646890) is N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine.
What is the SMILES notation for N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine?
The canonical SMILES for N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine is CC[C@@H]1C[C@H]1CNc1cncc(F)n1.
What is the InChIKey of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine?
The InChIKey is JGOQIXMBHJYELQ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14FN3/c1-2-7-3-8(7)4-13-10-6-12-5-9(11)14-10/h5-8H,2-4H2,1H3,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine?
N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine has a molecular weight of 195.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-fluoropyrazin-2-amine is sourced from PubChem (CID 164646890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).