5-pyrrol-1-yl-1H-1,2,4-triazole

C6H6N4 — CID 18359717

IUPAC5-pyrrol-1-yl-1H-1,2,4-triazole
SMILESc1ccn(-c2ncn[nH]2)c1
InChIInChI=1S/C6H6N4/c1-2-4-10(3-1)6-7-5-8-9-6/h1-5H,(H,7,8,9)
InChIKeyRTQYJVCLQOCWIS-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.60
Rot. Bonds1

About 5-pyrrol-1-yl-1H-1,2,4-triazole

5-pyrrol-1-yl-1H-1,2,4-triazole (PubChem CID 18359717) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-pyrrol-1-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-1H-1,2,4-triazole
PubChem CID18359717
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5-pyrrol-1-yl-1H-1,2,4-triazole
SMILESc1ccn(-c2ncn[nH]2)c1
InChIInChI=1S/C6H6N4/c1-2-4-10(3-1)6-7-5-8-9-6/h1-5H,(H,7,8,9)
InChIKeyRTQYJVCLQOCWIS-UHFFFAOYSA-N
XLogP0.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrol-1-yl)-1,2,4-triazole
CID 12203607
1h-Pyrrolo [1,2-b]-sym-triazole
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Pyrrolo[1,2-d]tetrazole
CID 21226033
1h-Pyrrolo [2,1-c]-sym-triazole
CID 22016110
3-(Azol-1-yl)pyrazole
CID 53215354
Tetrazol-1-ylazole
CID 53768322
5-pyrrol-1-yl-2H-tetrazole
CID 67857397
1-ethyl-3-[(1Z,3E)-4-pyrrol-1-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 44472415
3-nitro-5-(N-azolyl)-1,2,4-triazole
CID 129870824
1-Pyrrol-1-yl-1,2,4-triazole
CID 12589008
1-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 54369166
Pyrrol-1-yl(1,2,4-triazol-4-yl)methanone
CID 57747494

Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-1H-1,2,4-triazole?
The IUPAC name of 5-pyrrol-1-yl-1H-1,2,4-triazole (CID 18359717) is 5-pyrrol-1-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-pyrrol-1-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-pyrrol-1-yl-1H-1,2,4-triazole is c1ccn(-c2ncn[nH]2)c1.
What is the InChIKey of 5-pyrrol-1-yl-1H-1,2,4-triazole?
The InChIKey is RTQYJVCLQOCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-4-10(3-1)6-7-5-8-9-6/h1-5H,(H,7,8,9).
What are the key properties of 5-pyrrol-1-yl-1H-1,2,4-triazole?
5-pyrrol-1-yl-1H-1,2,4-triazole has a molecular weight of 134.14 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-1H-1,2,4-triazole is sourced from PubChem (CID 18359717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).