5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine

C8H16N6 — CID 82765244

IUPAC5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine
SMILESCC1(c2nnc(N)n2N)CCCC1N
InChIInChI=1S/C8H16N6/c1-8(4-2-3-5(8)9)6-12-13-7(10)14(6)11/h5H,2-4,9,11H2,1H3,(H2,10,13)
InChIKeyUKAPZLFCNDIPTB-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.66
Rot. Bonds1

About 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine

5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine (PubChem CID 82765244) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine
PubChem CID82765244
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine
SMILESCC1(c2nnc(N)n2N)CCCC1N
InChIInChI=1S/C8H16N6/c1-8(4-2-3-5(8)9)6-12-13-7(10)14(6)11/h5H,2-4,9,11H2,1H3,(H2,10,13)
InChIKeyUKAPZLFCNDIPTB-UHFFFAOYSA-N
XLogP-0.66
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine (CID 82765244) is 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine is CC1(c2nnc(N)n2N)CCCC1N.
What is the InChIKey of 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine?
The InChIKey is UKAPZLFCNDIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-8(4-2-3-5(8)9)6-12-13-7(10)14(6)11/h5H,2-4,9,11H2,1H3,(H2,10,13).
What are the key properties of 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine?
5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine has a molecular weight of 196.26 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 82765244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).