(3-aminopyrazin-2-yl)methyl formate

C6H7N3O2 — CID 174746179

IUPAC(3-aminopyrazin-2-yl)methyl formate
SMILESNc1nccnc1COC=O
InChIInChI=1S/C6H7N3O2/c7-6-5(3-11-4-10)8-1-2-9-6/h1-2,4H,3H2,(H2,7,9)
InChIKeyMXLPRGHBFQAIKH-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.27
Rot. Bonds3

About (3-aminopyrazin-2-yl)methyl formate

(3-aminopyrazin-2-yl)methyl formate (PubChem CID 174746179) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)methyl formate.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)methyl formate
PubChem CID174746179
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name(3-aminopyrazin-2-yl)methyl formate
SMILESNc1nccnc1COC=O
InChIInChI=1S/C6H7N3O2/c7-6-5(3-11-4-10)8-1-2-9-6/h1-2,4H,3H2,(H2,7,9)
InChIKeyMXLPRGHBFQAIKH-UHFFFAOYSA-N
XLogP-0.27
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-chloropyrazin-2-yl)methyl formate
CID 174712769
(2-amino-3-pyridinyl)methyl formate
CID 174668609
(2-amino-4-pyridinyl)methyl formate
CID 174909725
(6-bromo-3-methoxypyrazin-2-yl)methyl formate
CID 175376021
(2-amino-4,6-dichloro-3-pyridinyl)methyl formate
CID 174644042
[5-(fluoromethyl)pyrazin-2-yl]methyl formate
CID 174810367
(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate
CID 174656005
ethyl formate;3-(3-methylpyrazin-2-yl)propan-1-ol
CID 159678359
2-(4-aminopyrimidin-5-yl)ethyl formate
CID 174505971
2-pyrimidin-2-ylethyl formate
CID 173035298
(2-methyl-1,3-thiazol-5-yl)methyl formate
CID 87091610
(5-amino-1,2-dihydrotriazol-3-yl)methyl formate
CID 174963878

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)methyl formate?
The IUPAC name of (3-aminopyrazin-2-yl)methyl formate (CID 174746179) is (3-aminopyrazin-2-yl)methyl formate.
What is the SMILES notation for (3-aminopyrazin-2-yl)methyl formate?
The canonical SMILES for (3-aminopyrazin-2-yl)methyl formate is Nc1nccnc1COC=O.
What is the InChIKey of (3-aminopyrazin-2-yl)methyl formate?
The InChIKey is MXLPRGHBFQAIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-6-5(3-11-4-10)8-1-2-9-6/h1-2,4H,3H2,(H2,7,9).
What are the key properties of (3-aminopyrazin-2-yl)methyl formate?
(3-aminopyrazin-2-yl)methyl formate has a molecular weight of 153.14 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)methyl formate is sourced from PubChem (CID 174746179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).