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

C7H13N5O — CID 136758285

IUPAC3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNC1CCCN(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C7H13N5O/c8-5-2-1-3-12(4-5)6-9-7(13)11-10-6/h5H,1-4,8H2,(H2,9,10,11,13)
InChIKeyNLBMQHSMODXRFQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.97
Rot. Bonds1

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

3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136758285) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136758285
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNC1CCCN(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C7H13N5O/c8-5-2-1-3-12(4-5)6-9-7(13)11-10-6/h5H,1-4,8H2,(H2,9,10,11,13)
InChIKeyNLBMQHSMODXRFQ-UHFFFAOYSA-N
XLogP-0.97
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol dihydrochloride
CID 136573907
2,4-Dihydro-4-(4-piperidinyl)-3H-1,2,4-triazol-3-one
CID 68502202
3-(4-Aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol
CID 136573908
3-(piperazin-1-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136758221
4-(piperidin-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 107410535
4-(2-methylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107410552
4-(6-methylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107410557
5-(Piperidin-1-yl)-1H-1,2,4-triazol-3(2H)-one
CID 135522567
2-(Piperidin-3-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
CID 136313184
5-(3-aminopyrrolidin-1-yl)-4H-1,2,4-triazol-3-ol
CID 136758235
3-(3,5-Dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136836448
3-[(3r)-3-Methylpiperazin-1-yl]-1h-1,2,4-triazol-5-ol
CID 136836463

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136758285) is 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is 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?
The InChIKey is NLBMQHSMODXRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-5-2-1-3-12(4-5)6-9-7(13)11-10-6/h5H,1-4,8H2,(H2,9,10,11,13).
What are the key properties of 3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.97, 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 is sourced from PubChem (CID 136758285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).