2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole

C11H17N7 — CID 72901328

IUPAC2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole
SMILESCCCCn1nc(C2CC2)nc1Cn1ncnn1
InChIInChI=1S/C11H17N7/c1-2-3-6-17-10(7-18-13-8-12-16-18)14-11(15-17)9-4-5-9/h8-9H,2-7H2,1H3
InChIKeyDJMTWUHXCVATDS-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.99
Rot. Bonds6

About 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole

2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole (PubChem CID 72901328) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole.

Molecular Properties

Compound Name2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole
PubChem CID72901328
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole
SMILESCCCCn1nc(C2CC2)nc1Cn1ncnn1
InChIInChI=1S/C11H17N7/c1-2-3-6-17-10(7-18-13-8-12-16-18)14-11(15-17)9-4-5-9/h8-9H,2-7H2,1H3
InChIKeyDJMTWUHXCVATDS-UHFFFAOYSA-N
XLogP0.99
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole?
The IUPAC name of 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole (CID 72901328) is 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole.
What is the SMILES notation for 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole?
The canonical SMILES for 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole is CCCCn1nc(C2CC2)nc1Cn1ncnn1.
What is the InChIKey of 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole?
The InChIKey is DJMTWUHXCVATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-2-3-6-17-10(7-18-13-8-12-16-18)14-11(15-17)9-4-5-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole?
2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole has a molecular weight of 247.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole is sourced from PubChem (CID 72901328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).