5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C12H13N7 — CID 165415450

IUPAC5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1cnc(C)n2nc(/C=C/c3ncnn3C)nc12
InChIInChI=1S/C12H13N7/c1-8-6-13-9(2)19-12(8)16-10(17-19)4-5-11-14-7-15-18(11)3/h4-7H,1-3H3/b5-4+
InChIKeyISTHNNURVQJRKO-SNAWJCMRSA-N
MW255.28 g/mol
LogP1.04
Rot. Bonds2

About 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 165415450) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID165415450
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1cnc(C)n2nc(/C=C/c3ncnn3C)nc12
InChIInChI=1S/C12H13N7/c1-8-6-13-9(2)19-12(8)16-10(17-19)4-5-11-14-7-15-18(11)3/h4-7H,1-3H3/b5-4+
InChIKeyISTHNNURVQJRKO-SNAWJCMRSA-N
XLogP1.04
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
Pyrazolo(1,5-a)pyrimidine
CID 11636795
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
5-Ethyl-8-methyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705092
8-Ethyl-5-Methyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-C]pyrimidine
CID 72705844
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-vinyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90018218
5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90017370
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 165415450) is 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1cnc(C)n2nc(/C=C/c3ncnn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ISTHNNURVQJRKO-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H13N7/c1-8-6-13-9(2)19-12(8)16-10(17-19)4-5-11-14-7-15-18(11)3/h4-7H,1-3H3/b5-4+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 255.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 165415450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).