5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine

C9H17N5 — CID 107176865

IUPAC5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine
SMILESCC1(C)CCCC1c1nnc(N)n1N
InChIInChI=1S/C9H17N5/c1-9(2)5-3-4-6(9)7-12-13-8(10)14(7)11/h6H,3-5,11H2,1-2H3,(H2,10,13)
InChIKeyAFAVIADGPWDBSI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.87
Rot. Bonds1

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

5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine (PubChem CID 107176865) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine
PubChem CID107176865
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine
SMILESCC1(C)CCCC1c1nnc(N)n1N
InChIInChI=1S/C9H17N5/c1-9(2)5-3-4-6(9)7-12-13-8(10)14(7)11/h6H,3-5,11H2,1-2H3,(H2,10,13)
InChIKeyAFAVIADGPWDBSI-UHFFFAOYSA-N
XLogP0.87
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 107186493
6-(2,2-dimethylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 107176876
5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine
CID 82765244
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 107186329
5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 107182962
3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107195177
4-chloro-6-(2,2-dimethylcyclopentyl)-1,3,5-triazin-2-amine
CID 107186454
5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine
CID 107179171
3-(bromomethyl)-5-(2,2-dimethylcyclohexyl)-4-propyl-1,2,4-triazole
CID 107186407
2-[[5-(2,2-dimethylcyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107180102
3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179723
3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid
CID 107185767

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine (CID 107176865) is 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine is CC1(C)CCCC1c1nnc(N)n1N.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine?
The InChIKey is AFAVIADGPWDBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(2)5-3-4-6(9)7-12-13-8(10)14(7)11/h6H,3-5,11H2,1-2H3,(H2,10,13).
What are the key properties of 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine?
5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 107176865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).