1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole

C12H19N7O2 — CID 66215760

IUPAC1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole
SMILESCCOC(OCC)c1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C12H19N7O2/c1-3-20-12(21-4-2)10-7-18(16-13-10)8-11-14-15-17-19(11)9-5-6-9/h7,9,12H,3-6,8H2,1-2H3
InChIKeyOSRDOSNXNWRHLH-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.72
Rot. Bonds8

About 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole

1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole (PubChem CID 66215760) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole
PubChem CID66215760
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole
SMILESCCOC(OCC)c1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C12H19N7O2/c1-3-20-12(21-4-2)10-7-18(16-13-10)8-11-14-15-17-19(11)9-5-6-9/h7,9,12H,3-6,8H2,1-2H3
InChIKeyOSRDOSNXNWRHLH-UHFFFAOYSA-N
XLogP0.72
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole
CID 113242468
[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol
CID 62400550
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
4-[4-(diethoxymethyl)triazol-1-yl]piperidine
CID 150718724
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761
2-[[4-(diethoxymethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 66213746
1-[(2,5-dichlorophenyl)methyl]-4-(diethoxymethyl)triazole
CID 66216555
5-[[4-(diethoxymethyl)triazol-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 66216564
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526858
1-[4-(diethoxymethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114497647
4-(diethoxymethyl)-1-[2-(3-methoxypropoxy)ethyl]triazole
CID 103185068
4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
CID 66213944

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole (CID 66215760) is 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole is CCOC(OCC)c1cn(Cc2nnnn2C2CC2)nn1.
What is the InChIKey of 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole?
The InChIKey is OSRDOSNXNWRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-3-20-12(21-4-2)10-7-18(16-13-10)8-11-14-15-17-19(11)9-5-6-9/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole?
1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole has a molecular weight of 293.33 g/mol, XLogP of 0.72, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[[4-(diethoxymethyl)triazol-1-yl]methyl]tetrazole is sourced from PubChem (CID 66215760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).