6-pyrrol-1-yl-7H-purine

C9H7N5 — CID 10103877

IUPAC6-pyrrol-1-yl-7H-purine
SMILESc1ccn(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C9H7N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H,10,11,12,13)
InChIKeyCWBOAMAHXROOMO-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.14
Rot. Bonds1

About 6-pyrrol-1-yl-7H-purine

6-pyrrol-1-yl-7H-purine (PubChem CID 10103877) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 6-pyrrol-1-yl-7H-purine.

Molecular Properties

Compound Name6-pyrrol-1-yl-7H-purine
PubChem CID10103877
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name6-pyrrol-1-yl-7H-purine
SMILESc1ccn(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C9H7N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H,10,11,12,13)
InChIKeyCWBOAMAHXROOMO-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrol-1-yl-7H-purine?
The IUPAC name of 6-pyrrol-1-yl-7H-purine (CID 10103877) is 6-pyrrol-1-yl-7H-purine.
What is the SMILES notation for 6-pyrrol-1-yl-7H-purine?
The canonical SMILES for 6-pyrrol-1-yl-7H-purine is c1ccn(-c2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-pyrrol-1-yl-7H-purine?
The InChIKey is CWBOAMAHXROOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H,10,11,12,13).
What are the key properties of 6-pyrrol-1-yl-7H-purine?
6-pyrrol-1-yl-7H-purine has a molecular weight of 185.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrol-1-yl-7H-purine is sourced from PubChem (CID 10103877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).