2H-tetrazole;4H-triazole

C3H5N7 — CID 167579013

IUPAC2H-tetrazole;4H-triazole
SMILESC1=NN=NC1.c1nn[nH]n1
InChIInChI=1S/C2H3N3.CH2N4/c2*1-2-4-5-3-1/h1H,2H2;1H,(H,2,3,4,5)
InChIKeyGXRGTZVGTQRSJN-UHFFFAOYSA-N
MW139.12 g/mol
LogP-0.36
Rot. Bonds

About 2H-tetrazole;4H-triazole

2H-tetrazole;4H-triazole (PubChem CID 167579013) has the molecular formula C3H5N7 and a molecular weight of 139.12 g/mol. Its IUPAC name is 2H-tetrazole;4H-triazole.

Molecular Properties

Compound Name2H-tetrazole;4H-triazole
PubChem CID167579013
Molecular FormulaC3H5N7
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name2H-tetrazole;4H-triazole
SMILESC1=NN=NC1.c1nn[nH]n1
InChIInChI=1S/C2H3N3.CH2N4/c2*1-2-4-5-3-1/h1H,2H2;1H,(H,2,3,4,5)
InChIKeyGXRGTZVGTQRSJN-UHFFFAOYSA-N
XLogP-0.36
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 174343673

Frequently Asked Questions

What is the IUPAC name of 2H-tetrazole;4H-triazole?
The IUPAC name of 2H-tetrazole;4H-triazole (CID 167579013) is 2H-tetrazole;4H-triazole.
What is the SMILES notation for 2H-tetrazole;4H-triazole?
The canonical SMILES for 2H-tetrazole;4H-triazole is C1=NN=NC1.c1nn[nH]n1.
What is the InChIKey of 2H-tetrazole;4H-triazole?
The InChIKey is GXRGTZVGTQRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.CH2N4/c2*1-2-4-5-3-1/h1H,2H2;1H,(H,2,3,4,5).
What are the key properties of 2H-tetrazole;4H-triazole?
2H-tetrazole;4H-triazole has a molecular weight of 139.12 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazole;4H-triazole is sourced from PubChem (CID 167579013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).