1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine

C4H6N10O2 — CID 132513692

IUPAC1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine
SMILESNc1nnnn1CCn1nnc([N+](=O)[O-])n1
InChIInChI=1S/C4H6N10O2/c5-3-6-9-11-12(3)1-2-13-8-4(7-10-13)14(15)16/h1-2H2,(H2,5,6,11)
InChIKeyYIWHITJMYGSQMR-UHFFFAOYSA-N
MW226.16 g/mol
LogP-2.15
Rot. Bonds4

About 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine

1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine (PubChem CID 132513692) has the molecular formula C4H6N10O2 and a molecular weight of 226.16 g/mol. Its IUPAC name is 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine
PubChem CID132513692
Molecular FormulaC4H6N10O2
Molecular Weight226.16 g/mol
Exact Mass226.07
IUPAC Name1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine
SMILESNc1nnnn1CCn1nnc([N+](=O)[O-])n1
InChIInChI=1S/C4H6N10O2/c5-3-6-9-11-12(3)1-2-13-8-4(7-10-13)14(15)16/h1-2H2,(H2,5,6,11)
InChIKeyYIWHITJMYGSQMR-UHFFFAOYSA-N
XLogP-2.15
TPSA156.36 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine
CID 132513682
hydroxylamine;2-hydroxy-5-nitrotetrazole
CID 175730061
2-fluoro-5-nitrotetrazole
CID 69030732
2-iodo-5-nitrotetrazole
CID 69031764
1-[(3-nitrophenyl)methyl]tetrazol-5-amine
CID 777340
2-benzyl-5-nitro-1,2,4-triazol-3-amine
CID 563426
1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]tetrazol-5-amine
CID 131185833
(5-aminotetrazol-1-yl) nitrate
CID 70017504
nitric acid;tetrazole-1,5-diamine
CID 13378165
2-(5-aminotetrazol-1-yl)acetamide
CID 55281963
methyl 3-(5-aminotetrazol-1-yl)propanoate
CID 79006130
5-nitro-2-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87666212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine (CID 132513692) is 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine is Nc1nnnn1CCn1nnc([N+](=O)[O-])n1.
What is the InChIKey of 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine?
The InChIKey is YIWHITJMYGSQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N10O2/c5-3-6-9-11-12(3)1-2-13-8-4(7-10-13)14(15)16/h1-2H2,(H2,5,6,11).
What are the key properties of 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine?
1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine has a molecular weight of 226.16 g/mol, XLogP of -2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 132513692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).