5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine

C3H4N8 — CID 102443089

IUPAC5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nn[nH]n2)n1
InChIInChI=1S/C3H4N8/c4-3-5-1(6-9-3)2-7-10-11-8-2/h(H3,4,5,6,9)(H,7,8,10,11)
InChIKeyUICCOLXUDCADEX-UHFFFAOYSA-N
MW152.12 g/mol
LogP-1.43
Rot. Bonds1

About 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine

5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 102443089) has the molecular formula C3H4N8 and a molecular weight of 152.12 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID102443089
Molecular FormulaC3H4N8
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nn[nH]n2)n1
InChIInChI=1S/C3H4N8/c4-3-5-1(6-9-3)2-7-10-11-8-2/h(H3,4,5,6,9)(H,7,8,10,11)
InChIKeyUICCOLXUDCADEX-UHFFFAOYSA-N
XLogP-1.43
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5,5'-Diamino-3,3'-bis-1,2,4-triazole
CID 573397
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-(trifluoromethyl)-1H-1,2,4-triazol-3-amine;5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium
CID 160163482
5-methyl-3-(5-methyl(1H-1,2,4-triazol-3-yl))-1H-1,2,4-triazole
CID 720075
5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole
CID 136726291
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
5,5-Bis(3,4-diaminotriazolium) nitrate
CID 168339468
4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide
CID 168339470
5,5-Bis-3-hydrazinyl-4-aminotriazole monohydrate
CID 168339471

Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 102443089) is 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nn[nH]n2)n1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is UICCOLXUDCADEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N8/c4-3-5-1(6-9-3)2-7-10-11-8-2/h(H3,4,5,6,9)(H,7,8,10,11).
What are the key properties of 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 152.12 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 102443089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).