1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole

C11H17N9 — CID 167563396

IUPAC1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
SMILESCc1cn(C)nn1.Cn1cc(Cc2cn(C)nn2)nn1
InChIInChI=1S/C7H10N6.C4H7N3/c1-12-4-6(8-10-12)3-7-5-13(2)11-9-7;1-4-3-7(2)6-5-4/h4-5H,3H2,1-2H3;3H,1-2H3
InChIKeyDYNOIKKOPICQHC-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.34
Rot. Bonds2

About 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole

1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole (PubChem CID 167563396) has the molecular formula C11H17N9 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole.

Molecular Properties

Compound Name1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
PubChem CID167563396
Molecular FormulaC11H17N9
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
SMILESCc1cn(C)nn1.Cn1cc(Cc2cn(C)nn2)nn1
InChIInChI=1S/C7H10N6.C4H7N3/c1-12-4-6(8-10-12)3-7-5-13(2)11-9-7;1-4-3-7(2)6-5-4/h4-5H,3H2,1-2H3;3H,1-2H3
InChIKeyDYNOIKKOPICQHC-UHFFFAOYSA-N
XLogP-0.34
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 143593274
(1-methyltriazol-4-yl)methanol;tungsten
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1,4-dimethyltriazole;methylcyclobutane
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4-(3-bromopropyl)-1-methyltriazole
CID 107053634
ethane;1-methyl-4-propyltriazole
CID 168923376
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
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CID 158259702
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
4-(isocyanomethyl)-1-methyltriazole
CID 83478632
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole?
The IUPAC name of 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole (CID 167563396) is 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole.
What is the SMILES notation for 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole?
The canonical SMILES for 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole is Cc1cn(C)nn1.Cn1cc(Cc2cn(C)nn2)nn1.
What is the InChIKey of 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole?
The InChIKey is DYNOIKKOPICQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6.C4H7N3/c1-12-4-6(8-10-12)3-7-5-13(2)11-9-7;1-4-3-7(2)6-5-4/h4-5H,3H2,1-2H3;3H,1-2H3.
What are the key properties of 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole?
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole has a molecular weight of 275.32 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole is sourced from PubChem (CID 167563396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).