5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole

C17H26N6 — CID 146512428

IUPAC5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole
SMILESCCn1nc(C)nc1C1CC1Cc1nc(C2CC2)n(C(C)C)n1
InChIInChI=1S/C17H26N6/c1-5-22-17(18-11(4)20-22)14-8-13(14)9-15-19-16(12-6-7-12)23(21-15)10(2)3/h10,12-14H,5-9H2,1-4H3
InChIKeyPECKDDPHDKEIQL-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.00
Rot. Bonds6

About 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole

5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole (PubChem CID 146512428) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole
PubChem CID146512428
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole
SMILESCCn1nc(C)nc1C1CC1Cc1nc(C2CC2)n(C(C)C)n1
InChIInChI=1S/C17H26N6/c1-5-22-17(18-11(4)20-22)14-8-13(14)9-15-19-16(12-6-7-12)23(21-15)10(2)3/h10,12-14H,5-9H2,1-4H3
InChIKeyPECKDDPHDKEIQL-UHFFFAOYSA-N
XLogP3.00
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole (CID 146512428) is 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole is CCn1nc(C)nc1C1CC1Cc1nc(C2CC2)n(C(C)C)n1.
What is the InChIKey of 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole?
The InChIKey is PECKDDPHDKEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-5-22-17(18-11(4)20-22)14-8-13(14)9-15-19-16(12-6-7-12)23(21-15)10(2)3/h10,12-14H,5-9H2,1-4H3.
What are the key properties of 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole?
5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole has a molecular weight of 314.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 146512428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).