N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine

C9H17N5 — CID 112597261

IUPACN,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCCCN2)n1C
InChIInChI=1S/C9H17N5/c1-10-9-13-12-8(14(9)2)7-5-3-4-6-11-7/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyRCBHVVJIPARFKP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.67
Rot. Bonds2

About N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine

N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine (PubChem CID 112597261) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
PubChem CID112597261
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCCCN2)n1C
InChIInChI=1S/C9H17N5/c1-10-9-13-12-8(14(9)2)7-5-3-4-6-11-7/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyRCBHVVJIPARFKP-UHFFFAOYSA-N
XLogP0.67
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
N,4-dimethyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazol-3-amine
CID 102783762
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597244
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915216
2-(1-propan-2-yltetrazol-5-yl)piperidine
CID 84666405
(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915219

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine (CID 112597261) is N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine is CNc1nnc(C2CCCCN2)n1C.
What is the InChIKey of N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is RCBHVVJIPARFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-10-9-13-12-8(14(9)2)7-5-3-4-6-11-7/h7,11H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine?
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).