[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C13H19N5O — CID 102799956

IUPAC[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1ccoc1-c1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-9-4-6-19-11(9)12-15-13(17-16-12)18-5-2-3-10(7-14)8-18/h4,6,10H,2-3,5,7-8,14H2,1H3,(H,15,16,17)
InChIKeyDQVZDZGETCTPHZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.55
Rot. Bonds3

About [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799956) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799956
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1ccoc1-c1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-9-4-6-19-11(9)12-15-13(17-16-12)18-5-2-3-10(7-14)8-18/h4,6,10H,2-3,5,7-8,14H2,1H3,(H,15,16,17)
InChIKeyDQVZDZGETCTPHZ-UHFFFAOYSA-N
XLogP1.55
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799886
[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800021
[1-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799989
[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799868
3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797402
[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800011
[1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799821
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797
N-methyl-1-[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799653
[1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 107517334
3-[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]-1H-pyridin-4-one
CID 136812266
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799956) is [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is Cc1ccoc1-c1nc(N2CCCC(CN)C2)n[nH]1.
What is the InChIKey of [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is DQVZDZGETCTPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-4-6-19-11(9)12-15-13(17-16-12)18-5-2-3-10(7-14)8-18/h4,6,10H,2-3,5,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).