1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine

C15H28N6 — CID 80553294

IUPAC1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)n1ncnc1CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C15H28N6/c1-12(2)21-15(17-11-18-21)10-19-6-5-14(9-19)20-7-3-13(16)4-8-20/h11-14H,3-10,16H2,1-2H3
InChIKeyXZEGJANPLOTGTP-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.86
Rot. Bonds4

About 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553294) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553294
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)n1ncnc1CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C15H28N6/c1-12(2)21-15(17-11-18-21)10-19-6-5-14(9-19)20-7-3-13(16)4-8-20/h11-14H,3-10,16H2,1-2H3
InChIKeyXZEGJANPLOTGTP-UHFFFAOYSA-N
XLogP0.86
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine with MolForge

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Related Compounds

4-(3-Methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 15663651
(3R,4S)-3-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 44317485
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56717875
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1,4'-bipiperidine
CID 72849548
(2-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}ethyl)amine dihydrochloride
CID 72933636

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80553294) is 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine is CC(C)n1ncnc1CN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is XZEGJANPLOTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-12(2)21-15(17-11-18-21)10-19-6-5-14(9-19)20-7-3-13(16)4-8-20/h11-14H,3-10,16H2,1-2H3.
What are the key properties of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).