2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine

C10H11N5 — CID 50984147

IUPAC2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine
SMILESCc1cnc(-c2n[nH]c(C3CC3)n2)cn1
InChIInChI=1S/C10H11N5/c1-6-4-12-8(5-11-6)10-13-9(14-15-10)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14,15)
InChIKeyDNUUUHXWWRNRGP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.45
Rot. Bonds2

About 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine

2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine (PubChem CID 50984147) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine
PubChem CID50984147
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine
SMILESCc1cnc(-c2n[nH]c(C3CC3)n2)cn1
InChIInChI=1S/C10H11N5/c1-6-4-12-8(5-11-6)10-13-9(14-15-10)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14,15)
InChIKeyDNUUUHXWWRNRGP-UHFFFAOYSA-N
XLogP1.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine?
The IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine (CID 50984147) is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine?
The canonical SMILES for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine is Cc1cnc(-c2n[nH]c(C3CC3)n2)cn1.
What is the InChIKey of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine?
The InChIKey is DNUUUHXWWRNRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-6-4-12-8(5-11-6)10-13-9(14-15-10)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine?
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine has a molecular weight of 201.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methylpyrazine is sourced from PubChem (CID 50984147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).