1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide

C10H18N6O — CID 114222991

IUPAC1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide
SMILESCCn1nncc1N1CCNCC1C(=O)NC
InChIInChI=1S/C10H18N6O/c1-3-16-9(7-13-14-16)15-5-4-12-6-8(15)10(17)11-2/h7-8,12H,3-6H2,1-2H3,(H,11,17)
InChIKeyIDQCKXVOHIWHGO-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.18
Rot. Bonds3

About 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide

1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide (PubChem CID 114222991) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide
PubChem CID114222991
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide
SMILESCCn1nncc1N1CCNCC1C(=O)NC
InChIInChI=1S/C10H18N6O/c1-3-16-9(7-13-14-16)15-5-4-12-6-8(15)10(17)11-2/h7-8,12H,3-6H2,1-2H3,(H,11,17)
InChIKeyIDQCKXVOHIWHGO-UHFFFAOYSA-N
XLogP-1.18
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide (CID 114222991) is 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide is CCn1nncc1N1CCNCC1C(=O)NC.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide?
The InChIKey is IDQCKXVOHIWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-3-16-9(7-13-14-16)15-5-4-12-6-8(15)10(17)11-2/h7-8,12H,3-6H2,1-2H3,(H,11,17).
What are the key properties of 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide?
1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 114222991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).