(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate

C10H11ClN4O2 — CID 87371760

IUPAC(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(Cl)nc12
InChIInChI=1S/C10H11ClN4O2/c1-5(2)14-10(16)17-6-3-12-9-8(6)15-7(11)4-13-9/h3-5H,1-2H3,(H,12,13)(H,14,16)
InChIKeyJOGFXIWSTHAVMH-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.11
Rot. Bonds2

About (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate

(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate (PubChem CID 87371760) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
PubChem CID87371760
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(Cl)nc12
InChIInChI=1S/C10H11ClN4O2/c1-5(2)14-10(16)17-6-3-12-9-8(6)15-7(11)4-13-9/h3-5H,1-2H3,(H,12,13)(H,14,16)
InChIKeyJOGFXIWSTHAVMH-UHFFFAOYSA-N
XLogP2.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The IUPAC name of (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate (CID 87371760) is (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(Cl)nc12.
What is the InChIKey of (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The InChIKey is JOGFXIWSTHAVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-5(2)14-10(16)17-6-3-12-9-8(6)15-7(11)4-13-9/h3-5H,1-2H3,(H,12,13)(H,14,16).
What are the key properties of (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate has a molecular weight of 254.68 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 87371760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).