1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine

C6H10N8 — CID 79506412

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine
SMILESCC(c1nncn1C)n1nnnc1N
InChIInChI=1S/C6H10N8/c1-4(5-9-8-3-13(5)2)14-6(7)10-11-12-14/h3-4H,1-2H3,(H2,7,10,12)
InChIKeyBBNVHQOENBHILC-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.01
Rot. Bonds2

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine (PubChem CID 79506412) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine
PubChem CID79506412
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine
SMILESCC(c1nncn1C)n1nnnc1N
InChIInChI=1S/C6H10N8/c1-4(5-9-8-3-13(5)2)14-6(7)10-11-12-14/h3-4H,1-2H3,(H2,7,10,12)
InChIKeyBBNVHQOENBHILC-UHFFFAOYSA-N
XLogP-1.01
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 131162810
6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115470575
2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399
1-[1-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-amine
CID 79506894
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
3-[(1S,2R)-1,2-difluoropropyl]-4-methyl-1,2,4-triazole
CID 175805725
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-dihydroisoindol-5-amine
CID 62118327
4,6-difluoro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115508823
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 62118876

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine (CID 79506412) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine is CC(c1nncn1C)n1nnnc1N.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine?
The InChIKey is BBNVHQOENBHILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-4(5-9-8-3-13(5)2)14-6(7)10-11-12-14/h3-4H,1-2H3,(H2,7,10,12).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine has a molecular weight of 194.20 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 79506412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).