5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole

C10H19N7 — CID 139460586

IUPAC5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole
SMILESCC(C)(C)c1nnn(C(C)(C)N2NC=CN2)n1
InChIInChI=1S/C10H19N7/c1-9(2,3)8-13-15-17(14-8)10(4,5)16-11-6-7-12-16/h6-7,11-12H,1-5H3
InChIKeyXCBSQEQGSOJIFB-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.46
Rot. Bonds2

About 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole

5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole (PubChem CID 139460586) has the molecular formula C10H19N7 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole
PubChem CID139460586
Molecular FormulaC10H19N7
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole
SMILESCC(C)(C)c1nnn(C(C)(C)N2NC=CN2)n1
InChIInChI=1S/C10H19N7/c1-9(2,3)8-13-15-17(14-8)10(4,5)16-11-6-7-12-16/h6-7,11-12H,1-5H3
InChIKeyXCBSQEQGSOJIFB-UHFFFAOYSA-N
XLogP0.46
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole?
The IUPAC name of 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole (CID 139460586) is 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole.
What is the SMILES notation for 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole?
The canonical SMILES for 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole is CC(C)(C)c1nnn(C(C)(C)N2NC=CN2)n1.
What is the InChIKey of 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole?
The InChIKey is XCBSQEQGSOJIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7/c1-9(2,3)8-13-15-17(14-8)10(4,5)16-11-6-7-12-16/h6-7,11-12H,1-5H3.
What are the key properties of 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole?
5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole has a molecular weight of 237.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[2-(1,3-dihydrotriazol-2-yl)propan-2-yl]tetrazole is sourced from PubChem (CID 139460586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).