1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone

C10H17N5O — CID 121200389

IUPAC1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(CN)nn2)CC1
InChIInChI=1S/C10H17N5O/c1-8(16)14-4-2-10(3-5-14)15-7-9(6-11)12-13-15/h7,10H,2-6,11H2,1H3
InChIKeyXFSAVNDJLWICKJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.08
Rot. Bonds2

About 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 121200389) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID121200389
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(CN)nn2)CC1
InChIInChI=1S/C10H17N5O/c1-8(16)14-4-2-10(3-5-14)15-7-9(6-11)12-13-15/h7,10H,2-6,11H2,1H3
InChIKeyXFSAVNDJLWICKJ-UHFFFAOYSA-N
XLogP-0.08
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone (CID 121200389) is 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(CN)nn2)CC1.
What is the InChIKey of 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is XFSAVNDJLWICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(16)14-4-2-10(3-5-14)15-7-9(6-11)12-13-15/h7,10H,2-6,11H2,1H3.
What are the key properties of 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121200389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).