N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine

C17H22N8 — CID 123946457

IUPACN-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCc1ncc(C)n2nc(C=Cc3nc(N(C)CC4CC4)nn3C)nc12
InChIInChI=1S/C17H22N8/c1-11-9-18-12(2)16-19-14(21-25(11)16)7-8-15-20-17(22-24(15)4)23(3)10-13-5-6-13/h7-9,13H,5-6,10H2,1-4H3
InChIKeyWKBVCGAZDZQFIX-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.89
Rot. Bonds5

About N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine

N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine (PubChem CID 123946457) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine
PubChem CID123946457
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCc1ncc(C)n2nc(C=Cc3nc(N(C)CC4CC4)nn3C)nc12
InChIInChI=1S/C17H22N8/c1-11-9-18-12(2)16-19-14(21-25(11)16)7-8-15-20-17(22-24(15)4)23(3)10-13-5-6-13/h7-9,13H,5-6,10H2,1-4H3
InChIKeyWKBVCGAZDZQFIX-UHFFFAOYSA-N
XLogP1.89
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine (CID 123946457) is N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine is Cc1ncc(C)n2nc(C=Cc3nc(N(C)CC4CC4)nn3C)nc12.
What is the InChIKey of N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is WKBVCGAZDZQFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-11-9-18-12(2)16-19-14(21-25(11)16)7-8-15-20-17(22-24(15)4)23(3)10-13-5-6-13/h7-9,13H,5-6,10H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 338.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 123946457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).