(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid

C10H17N5O3 — CID 68989398

IUPAC(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCn2cc(CO)nn2)C1
InChIInChI=1S/C10H17N5O3/c16-7-9-6-15(13-12-9)3-1-8-5-14(10(17)18)4-2-11-8/h6,8,11,16H,1-5,7H2,(H,17,18)/t8-/m1/s1
InChIKeyIXTYTJBHWHZIIF-MRVPVSSYSA-N
MW255.28 g/mol
LogP-0.89
Rot. Bonds4

About (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid

(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid (PubChem CID 68989398) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid
PubChem CID68989398
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCn2cc(CO)nn2)C1
InChIInChI=1S/C10H17N5O3/c16-7-9-6-15(13-12-9)3-1-8-5-14(10(17)18)4-2-11-8/h6,8,11,16H,1-5,7H2,(H,17,18)/t8-/m1/s1
InChIKeyIXTYTJBHWHZIIF-MRVPVSSYSA-N
XLogP-0.89
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid (CID 68989398) is (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid is O=C(O)N1CCN[C@H](CCn2cc(CO)nn2)C1.
What is the InChIKey of (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid?
The InChIKey is IXTYTJBHWHZIIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N5O3/c16-7-9-6-15(13-12-9)3-1-8-5-14(10(17)18)4-2-11-8/h6,8,11,16H,1-5,7H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid?
(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68989398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).