1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole

C19H29N19 — CID 161139764

IUPAC1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole
SMILESCc1nnn(C)n1.Cc1nnnn1C.Cn1cnc(-c2ccccc2)n1.Cn1cnnn1.Cn1ncnn1
InChIInChI=1S/C9H9N3.2C3H6N4.2C2H4N4/c1-12-7-10-9(11-12)8-5-3-2-4-6-8;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2-7H,1H3;2*1-2H3;2*2H,1H3
InChIKeyUNGXAGGKMWEEMJ-UHFFFAOYSA-N
MW523.57 g/mol
LogP-1.06
Rot. Bonds1

About 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole

1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole (PubChem CID 161139764) has the molecular formula C19H29N19 and a molecular weight of 523.57 g/mol. Its IUPAC name is 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole.

Molecular Properties

Compound Name1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole
PubChem CID161139764
Molecular FormulaC19H29N19
Molecular Weight523.57 g/mol
Exact Mass523.29
IUPAC Name1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole
SMILESCc1nnn(C)n1.Cc1nnnn1C.Cn1cnc(-c2ccccc2)n1.Cn1cnnn1.Cn1ncnn1
InChIInChI=1S/C9H9N3.2C3H6N4.2C2H4N4/c1-12-7-10-9(11-12)8-5-3-2-4-6-8;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2-7H,1H3;2*1-2H3;2*2H,1H3
InChIKeyUNGXAGGKMWEEMJ-UHFFFAOYSA-N
XLogP-1.06
TPSA205.11 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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Related Compounds

2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene
CID 91447150
1-methyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 59348213
1,5-dimethyltetrazole;hydrofluoride
CID 153359282
2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
CID 134400321
3-(4-bromophenyl)-1-methyl-1,2,4-triazole
CID 58371841
1-ethyl-3-phenyl-1,2,4-triazole
CID 54474328
3-(1-methyl-1,2,4-triazol-3-yl)benzaldehyde
CID 163359544
1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol
CID 161119835
3-(2,6-dimethylphenyl)-1-methyl-1,2,4-triazole
CID 163359506
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
CID 143851802
3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 141370525
1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317665

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole?
The IUPAC name of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole (CID 161139764) is 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole.
What is the SMILES notation for 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole?
The canonical SMILES for 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole is Cc1nnn(C)n1.Cc1nnnn1C.Cn1cnc(-c2ccccc2)n1.Cn1cnnn1.Cn1ncnn1.
What is the InChIKey of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole?
The InChIKey is UNGXAGGKMWEEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2C3H6N4.2C2H4N4/c1-12-7-10-9(11-12)8-5-3-2-4-6-8;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2-7H,1H3;2*1-2H3;2*2H,1H3.
What are the key properties of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole?
1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole has a molecular weight of 523.57 g/mol, XLogP of -1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole is sourced from PubChem (CID 161139764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).