1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole

C6H9N7 — CID 134971469

IUPAC1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole
SMILESc1nncn1CCCn1cnnn1
InChIInChI=1S/C6H9N7/c1(2-12-4-7-8-5-12)3-13-6-9-10-11-13/h4-6H,1-3H2
InChIKeyJNJDUHCIOMFPJR-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.65
Rot. Bonds4

About 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole

1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole (PubChem CID 134971469) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole.

Molecular Properties

Compound Name1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole
PubChem CID134971469
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole
SMILESc1nncn1CCCn1cnnn1
InChIInChI=1S/C6H9N7/c1(2-12-4-7-8-5-12)3-13-6-9-10-11-13/h4-6H,1-3H2
InChIKeyJNJDUHCIOMFPJR-UHFFFAOYSA-N
XLogP-0.65
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-N',N'-bis(1,2,4-triazol-1-ylmethyl)propane-1,3-diamine
CID 54576747
1-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole
CID 3845762
1,2-Di(1H-1,2,4-triazol-1-yl)ethane
CID 683665
1,4-Bis(tetrazol-1-yl)butane
CID 15533013
1,3-Di(1H-1,2,4-triazole-1-yl)propane
CID 15877518
1,1'-(1,4-Butanediyl)bis(1H-1,2,4-triazole)
CID 15877519
1,2-Di(4H-1,2,4-triazol-4-yl)ethane
CID 85769837
1-(Tetrazol-1-yl)-3-(tetrazol-2-yl)propane
CID 102517128
1,3-Di(tetrazol-1-yl)propane
CID 138376411
1,2-Bis(1,2,4-triazol-4-yl)butane
CID 129734209
1-[4-(1,2,4-Triazol-4-yl)butyl]tetrazole
CID 134855520
1,3-Di-1,tetrazolyl-propane monohydrate
CID 168339929

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole?
The IUPAC name of 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole (CID 134971469) is 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole.
What is the SMILES notation for 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole?
The canonical SMILES for 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole is c1nncn1CCCn1cnnn1.
What is the InChIKey of 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole?
The InChIKey is JNJDUHCIOMFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1(2-12-4-7-8-5-12)3-13-6-9-10-11-13/h4-6H,1-3H2.
What are the key properties of 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole?
1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole has a molecular weight of 179.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,4-triazol-4-yl)propyl]tetrazole is sourced from PubChem (CID 134971469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).