3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride

C7H15Cl2N5O — CID 167720541

IUPAC3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C7H13N5O.2ClH/c8-5-2-1-3-12(4-5)6-9-7(13)11-10-6;;/h5H,1-4,8H2,(H2,9,10,11,13);2*1H
InChIKeyJZOAXQBRQYWZNP-UHFFFAOYSA-N
MW256.14 g/mol
LogP-0.13
Rot. Bonds1

About 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride

3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride (PubChem CID 167720541) has the molecular formula C7H15Cl2N5O and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride
PubChem CID167720541
Molecular FormulaC7H15Cl2N5O
Molecular Weight256.14 g/mol
Exact Mass255.07
IUPAC Name3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C7H13N5O.2ClH/c8-5-2-1-3-12(4-5)6-9-7(13)11-10-6;;/h5H,1-4,8H2,(H2,9,10,11,13);2*1H
InChIKeyJZOAXQBRQYWZNP-UHFFFAOYSA-N
XLogP-0.13
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride (CID 167720541) is 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride is Cl.Cl.NC1CCCN(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride?
The InChIKey is JZOAXQBRQYWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O.2ClH/c8-5-2-1-3-12(4-5)6-9-7(13)11-10-6;;/h5H,1-4,8H2,(H2,9,10,11,13);2*1H.
What are the key properties of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride?
3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride has a molecular weight of 256.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one;dihydrochloride is sourced from PubChem (CID 167720541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).