1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C11H19N5O — CID 102794159

IUPAC1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C3CCCO3)n2)C1
InChIInChI=1S/C11H19N5O/c12-8-3-1-5-16(7-8)11-13-10(14-15-11)9-4-2-6-17-9/h8-9H,1-7,12H2,(H,13,14,15)
InChIKeyHCJMFCQFQBHNGI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.58
Rot. Bonds2

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

1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794159) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794159
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C3CCCO3)n2)C1
InChIInChI=1S/C11H19N5O/c12-8-3-1-5-16(7-8)11-13-10(14-15-11)9-4-2-6-17-9/h8-9H,1-7,12H2,(H,13,14,15)
InChIKeyHCJMFCQFQBHNGI-UHFFFAOYSA-N
XLogP0.58
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine
CID 167829844
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797516
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799155
1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794324
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794393
1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
CID 102794422
1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793222
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102794172
1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793322

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794159) is 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(C3CCCO3)n2)C1.
What is the InChIKey of 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is HCJMFCQFQBHNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-8-3-1-5-16(7-8)11-13-10(14-15-11)9-4-2-6-17-9/h8-9H,1-7,12H2,(H,13,14,15).
What are the key properties of 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 237.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).