5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine

C10H19N5 — CID 122506907

IUPAC5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)N1CCCC1c1nc(N)n[nH]1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-6-4-5-7(15)8-12-9(11)14-13-8/h7H,4-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyRDDMISJIVCUTBD-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.32
Rot. Bonds1

About 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine

5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 122506907) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID122506907
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)N1CCCC1c1nc(N)n[nH]1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-6-4-5-7(15)8-12-9(11)14-13-8/h7H,4-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyRDDMISJIVCUTBD-UHFFFAOYSA-N
XLogP1.32
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-3-[(2r)-pyrrolidin-2-yl]-1h-1,2,4-triazole dihydrochloride
CID 136589175
5-methyl-3-((2S)-pyrrolidin-2-yl)-1H-1,2,4-triazole dihydrochloride
CID 136589277
3-cyclopropyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61339307
Sdccgsbi-0659047.P001
CID 82463430
(2R*,6S*)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 50973592
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 75439955
1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
CID 95132693
(2S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-1-propan-2-ylpiperazine
CID 124752864
(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124755225
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124755825
2-tert-butyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 138025139
1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
CID 63716691

Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine (CID 122506907) is 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine is CC(C)(C)N1CCCC1c1nc(N)n[nH]1.
What is the InChIKey of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is RDDMISJIVCUTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)15-6-4-5-7(15)8-12-9(11)14-13-8/h7H,4-6H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine?
5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 209.30 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpyrrolidin-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 122506907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).