5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine

C14H18N8 — CID 165415452

IUPAC5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
SMILESCc1cc(C)n2nc(/C=C/c3nc(N(C)C)nn3C)nc2n1
InChIInChI=1S/C14H18N8/c1-9-8-10(2)22-13(15-9)16-11(18-22)6-7-12-17-14(20(3)4)19-21(12)5/h6-8H,1-5H3/b7-6+
InChIKeyCZHZTOWQVKSDAA-VOTSOKGWSA-N
MW298.35 g/mol
LogP1.11
Rot. Bonds3

About 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine

5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine (PubChem CID 165415452) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
PubChem CID165415452
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
SMILESCc1cc(C)n2nc(/C=C/c3nc(N(C)C)nn3C)nc2n1
InChIInChI=1S/C14H18N8/c1-9-8-10(2)22-13(15-9)16-11(18-22)6-7-12-17-14(20(3)4)19-21(12)5/h6-8H,1-5H3/b7-6+
InChIKeyCZHZTOWQVKSDAA-VOTSOKGWSA-N
XLogP1.11
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine (CID 165415452) is 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine is Cc1cc(C)n2nc(/C=C/c3nc(N(C)C)nn3C)nc2n1.
What is the InChIKey of 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
The InChIKey is CZHZTOWQVKSDAA-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H18N8/c1-9-8-10(2)22-13(15-9)16-11(18-22)6-7-12-17-14(20(3)4)19-21(12)5/h6-8H,1-5H3/b7-6+.
What are the key properties of 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine has a molecular weight of 298.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 165415452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).