(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C9H16N6O2 — CID 110484864

IUPAC(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1n[nH]nc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H16N6O2/c10-8-7(11-13-12-8)9(17)15-3-1-14(2-4-15)5-6-16/h16H,1-6H2,(H3,10,11,12,13)
InChIKeySLDQRFRCIXSXJE-UHFFFAOYSA-N
MW240.27 g/mol
LogP-1.86
Rot. Bonds3

About (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 110484864) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID110484864
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1n[nH]nc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H16N6O2/c10-8-7(11-13-12-8)9(17)15-3-1-14(2-4-15)5-6-16/h16H,1-6H2,(H3,10,11,12,13)
InChIKeySLDQRFRCIXSXJE-UHFFFAOYSA-N
XLogP-1.86
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62081573
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 65358271
(3-amino-4-chloro-1H-pyrazol-5-yl)-[4-(4-hydroxybutyl)piperazin-1-yl]methanone
CID 91761562
(5-amino-1H-pyrazol-4-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107224095
(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62239740
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 54917350
(2-amino-5-nitro-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 104585562
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086683

Frequently Asked Questions

What is the IUPAC name of (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 110484864) is (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Nc1n[nH]nc1C(=O)N1CCN(CCO)CC1.
What is the InChIKey of (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is SLDQRFRCIXSXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c10-8-7(11-13-12-8)9(17)15-3-1-14(2-4-15)5-6-16/h16H,1-6H2,(H3,10,11,12,13).
What are the key properties of (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 240.27 g/mol, XLogP of -1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110484864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).