5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole

C3H2N10 — CID 136726291

IUPAC5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole
SMILES[N-]=[N+]=Nc1nc(-c2nn[nH]n2)n[nH]1
InChIInChI=1S/C3H2N10/c4-11-10-3-5-1(6-9-3)2-7-12-13-8-2/h(H,5,6,9)(H,7,8,12,13)
InChIKeyJWCUKMHJVLPGNG-UHFFFAOYSA-N
MW178.12 g/mol
LogP-0.07
Rot. Bonds2

About 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole

5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole (PubChem CID 136726291) has the molecular formula C3H2N10 and a molecular weight of 178.12 g/mol. Its IUPAC name is 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole
PubChem CID136726291
Molecular FormulaC3H2N10
Molecular Weight178.12 g/mol
Exact Mass178.05
IUPAC Name5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole
SMILES[N-]=[N+]=Nc1nc(-c2nn[nH]n2)n[nH]1
InChIInChI=1S/C3H2N10/c4-11-10-3-5-1(6-9-3)2-7-12-13-8-2/h(H,5,6,9)(H,7,8,12,13)
InChIKeyJWCUKMHJVLPGNG-UHFFFAOYSA-N
XLogP-0.07
TPSA144.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5,5'-Diamino-3,3'-bis-1,2,4-triazole
CID 573397
5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole
CID 135399032
4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazole
CID 102444114
5,5'-Diamino-3,3'-bi-1,2,4-triazole
CID 139291528
5,5'-Bis(trifluoromethyl)-3,3'-bi[1H-1,2,4-triazole]
CID 89893803
5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 102443089
5-(5-nitro-1H-1,2,4-triazol-3-yl)-2H-tetrazole
CID 136726292
3,4-Diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)-1,2,4-triazolium dichloride
CID 139147272
azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate
CID 139217308
5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole
CID 23227822
[5-(5-chloro-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-yl]phosphane
CID 54540408
5-amino-N'-[[(E)-N'-(5-amino-1H-1,2,4-triazol-3-yl)carbamimidoyl]amino]-3-cyano-1,2,4-triazole-1-carboximidamide
CID 145072128

Frequently Asked Questions

What is the IUPAC name of 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole?
The IUPAC name of 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole (CID 136726291) is 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole is [N-]=[N+]=Nc1nc(-c2nn[nH]n2)n[nH]1.
What is the InChIKey of 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole?
The InChIKey is JWCUKMHJVLPGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N10/c4-11-10-3-5-1(6-9-3)2-7-12-13-8-2/h(H,5,6,9)(H,7,8,12,13).
What are the key properties of 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole?
5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole has a molecular weight of 178.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole is sourced from PubChem (CID 136726291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).