5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine

C6H10N8 — CID 172557070

IUPAC5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
SMILESCC(c1nc(N)n[nH]1)c1nc(N)n[nH]1
InChIInChI=1S/C6H10N8/c1-2(3-9-5(7)13-11-3)4-10-6(8)14-12-4/h2H,1H3,(H3,7,9,11,13)(H3,8,10,12,14)
InChIKeyKKVXAKMYMSDULN-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.76
Rot. Bonds2

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

5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 172557070) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID172557070
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
SMILESCC(c1nc(N)n[nH]1)c1nc(N)n[nH]1
InChIInChI=1S/C6H10N8/c1-2(3-9-5(7)13-11-3)4-10-6(8)14-12-4/h2H,1H3,(H3,7,9,11,13)(H3,8,10,12,14)
InChIKeyKKVXAKMYMSDULN-UHFFFAOYSA-N
XLogP-0.76
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine (CID 172557070) is 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine is CC(c1nc(N)n[nH]1)c1nc(N)n[nH]1.
What is the InChIKey of 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KKVXAKMYMSDULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-2(3-9-5(7)13-11-3)4-10-6(8)14-12-4/h2H,1H3,(H3,7,9,11,13)(H3,8,10,12,14).
What are the key properties of 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine?
5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of -0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 172557070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).