6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H19N9O — CID 165415192

IUPAC6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H19N9O/c31-21(25-10-16-11-26-30(29-16)17-4-2-1-3-5-17)19-20(27-15-8-22-13-23-9-15)24-12-18(28-19)14-6-7-14/h1-5,8-9,11-14H,6-7,10H2,(H,24,27)(H,25,31)
InChIKeyGGMIMYSDZNASAH-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.40
Rot. Bonds7

About 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415192) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415192
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC Name6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H19N9O/c31-21(25-10-16-11-26-30(29-16)17-4-2-1-3-5-17)19-20(27-15-8-22-13-23-9-15)24-12-18(28-19)14-6-7-14/h1-5,8-9,11-14H,6-7,10H2,(H,24,27)(H,25,31)
InChIKeyGGMIMYSDZNASAH-UHFFFAOYSA-N
XLogP2.40
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415192) is 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCc1cnn(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GGMIMYSDZNASAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O/c31-21(25-10-16-11-26-30(29-16)17-4-2-1-3-5-17)19-20(27-15-8-22-13-23-9-15)24-12-18(28-19)14-6-7-14/h1-5,8-9,11-14H,6-7,10H2,(H,24,27)(H,25,31).
What are the key properties of 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).