N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide

C12H16N6O2 — CID 91769711

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1cnccn1
InChIInChI=1S/C12H16N6O2/c1-20-7-6-18-9-16-17-11(18)2-3-15-12(19)10-8-13-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,19)
InChIKeyXMVNZWOINGOIBD-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.31
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 91769711) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide
PubChem CID91769711
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1cnccn1
InChIInChI=1S/C12H16N6O2/c1-20-7-6-18-9-16-17-11(18)2-3-15-12(19)10-8-13-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,19)
InChIKeyXMVNZWOINGOIBD-UHFFFAOYSA-N
XLogP-0.31
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide (CID 91769711) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide is COCCn1cnnc1CCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is XMVNZWOINGOIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-20-7-6-18-9-16-17-11(18)2-3-15-12(19)10-8-13-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,19).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91769711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).